Structure Activity Relationship (SAR) 

Categories in Support of 

SNURs for 17 Chemical Substances 

EPA Docket: EPA-HQ-OPPT-2008-0920 

May 14, 2010

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SAR Aliphatic Amines 8/2008 

FISH 96-h LC50 (Mortality) 

ESTIMATED TOXICITY: 

The fish 96-h LC50 values used to develop this SAR were measured and the octanol water 

partition coefficients (Kow) were calculated using the computer program, KOWWIN (Version 

1.67). The SAR equation used to estimate toxicity is: 

Log 96-h LC50 (mmol/L) = -0.6016 (log Kow) + 0.4479 

The LC50 is in millimoles per liter (mM/L); N = 117 + 23; and the Coefficient of Determination (R2

) 

= 0.7609. To convert the LC50 from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 6.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Fish 96-h LC50

y = -0.6016x + 0.4479

R2

 = 0.7609

n = 117 + 23

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-5.0 -4.0 -3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0

Log Kow (EPI)

Log Fish 96-h LC50 (mmol/L)

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

For aliphatic amines with log Kow values greater than 7.0, a test duration of greater than 96 hours 

may be required for proper expression of toxicity. Also, if the toxicity value obtained by the use of 

this equation exceeds the water solubility of the compound (measured or estimated), mortalities 

greater than 50% would not be expected in a saturated solution during an exposure period of 96 

hours. 

DATA: 

Page 11 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Fish 96-h 

LC50 

(mg/L)

Log Fish 96-h 

LC50 

(mmol/L) Reference (Meas. Kow) Reference (Fish 96-h LC50)

100-97-0 Hexamethylenetetramine 140 2.5 -4.2 49800 2.55 DUL

102-71-6 Triethanolamine 149 -1.5 -2.5 -1 11800 1.90 Hansch et al., 1995 DUL

CBI CBI 252 -0.9 -1.9 585 0.37 P91-____

111-42-2 Diethanolamine 105 -1.5 -1.7 -1.43 4710 1.65 Hansch & Leo, 1985 DUL

107-15-3 Ethylenediamine 60 -1.2 -1.6 -2.04 220 0.56 Hansch et al., 1995 DUL

141-43-5 2-Aminoethanol 61 -1.3 -1.6 -1.31 2070 1.53 Hansch & Leo, 1985 DUL

140-31-8 1-(2-Aminoethyl)piperazine 129 -0.6 -1.6 2190 1.23 DUL

103-76-4

1-(2-Hydroxyethyl) 

piperazine 130 -0.68 -1.6 6410 1.69 DUL

5407-04-5

3-Dimethylaminopropyl 

chloride hydrochloride 158 3.1 -1.5 133 -0.07 DUL

7209-38-3

1,4-Bis (3-aminopropyl) 

piperazine 200 -1.4 -1.4 -1.43 3100 1.19 DUL

CBI CBI 208 0.09 -1.4 3900 1.27 P00-____

622-40-2

4-(2-Hydroxyethyl) 

morpholine 131 -0.45 -1.3 2710 1.32 DUL

78-90-0 1,2-Propane diamine 74 -0.91 -1.2 1010 1.14 DUL

78-96-6 Isopropanol amine 75 -0.99 -1.2 -0.96 2520 1.53 Hansch & Leo, 1985 DUL

CBI CBI 317 -3.2 -1.2 75 -0.63 P95-____

109-76-2 1,3-Propane diamine 74 -1.5 -1.1 -1.43 1190 1.21 Hansch et al., 1995 DUL

109-85-3 2-Methoxyethylamine 75 -0.67 -0.91 524 0.84 DUL

110-73-6 2-(Ethylamino) ethanol 89 -0.46 -0.66 1480 1.22 DUL

CBI CBI 249 -0.25 -0.6 677 0.43 P95-____

109-01-3 1-Methylpiperazine 100 -0.099 -0.59 2300 1.36 DUL

110-91-8 Morpholine 87 -0.72 -0.56 -0.86 380 0.64 Hansch & Leo, 1985 Calamari et al., 1980

280-57-9

1,4-Diazabicyclo (2,2,2) 

octane 112 0.69 -0.49 1730 1.19 DUL

109-07-9 2-Methylpiperazine 100 -0.44 -0.38 2240 1.35 DUL

107-29-9 Acetaldoxime 59 -0.14 -0.21 -0.13 76 0.11 Hansch et al., 1995 DUL

124-40-3 Dimethylamine 45 -0.51 -0.17 -0.38 118 0.42 Hansch & Leo, 1985 Calamari et al., 1980

59-97-2 Tolazoline hydrochloride 197 MF -0.16 354 0.25 DUL

75-04-7 Ethylamine 45 -0.14 -0.15 -0.13 227 0.70 Hansch & Leo, 1985 U.S. EPA, 1990 (ERL-D)

22104-62-7

4-Dimethylamino-3-methyl2-butanone 129 0.34 -0.12 8.5 -1.18 DUL

100-37-8 N,N-Diethylethanolamine 117 0.48 0.05 1780 1.18 DUL

CBI CBI 135 0.2 0.15 390 0.46 P91-____

107-11-9 Allylamine 57 -0.09 0.21 0.03 27 -0.32 Hansch & Leo, 1985 Bridie et al., 1979

141-91-3 2,6-Dimethylmorpholine 115 0.73 0.28 387 0.53 DUL

107-10-8 Propylamine 59 0.39 0.34 0.48 308 0.72 Hansch & Leo, 1985 DUL

CBI CBI 238 0 0.41 250 0.02 P91-____

6921-29-5 Tripropargylamine 131 0.19 0.67 1.27 296 0.35 Hansch et al., 1995 DUL

75-64-9 tert-Butylamine 73 0.57 0.72 0.4 270 0.57 Hansch & Leo, 1985 Calamari et al., 1980

13952-84-6 (+-)-sec-Butylamine 73 0.74 0.76 0.74 275 0.58 Hansch & Leo, 1985 DUL

6948-86-3

N,N-Bis(2,2-diethoxyethyl) 

methylamine 263 1.4 0.78 637 0.38 DUL

6948-86-3

N,N-Bis(2,2-diethoxyethyl) 

methylamine 263 1.4 0.78 634 0.38 DUL

109-89-7 Diethylamine 73 0.54 0.81 0.58 855 1.07 Hansch & Leo, 1985 DUL

109-89-7 Diethylamine 73 0.54 0.81 0.58 182 0.40 Hansch & Leo, 1985 Calamari et al., 1980

109-73-9 Butylamine 73 0.92 0.83 0.97 268 0.56 Hansch & Leo, 1985 DUL

96-80-0

2-(Diisopropylamino) 

ethanol 145 1.1 0.88 201 0.14 DUL

100-64-1 Cyclohexanone oxime 113 1.2 0.91 0.84 208 0.26 TSCATS DUL

105-14-6

5-Diethylamino-2-

pentanone 157 0.57 0.94 336 0.33 DUL

54-11-5

(s)-3-Methyl-2-pyrrolidinyl 

pyridine nicotine 162 1.3 1 1.17 4 -1.61 Hansch & Leo, 1985 Edsall, 1991

65-30-5 Nicotine sulfate 419 MF 1 1.17 12.2 -1.54 Hansch & Leo, 1985 DUL

65-30-5 Nicotine sulfate 419 MF 1 1.17 15.6 -1.43 Hansch & Leo, 1985 DUL

100-46-9 Benzylamine 107 1.1 1.1 1.09 102 -0.02 Hansch & Leo, 1985 U.S. EPA, 1990 (ERL-D)

2759-28-6 1-Benzylpiperazine 176 1.8 1.1 47.4 -0.57 DUL

127-06-0 Acetone oxime 73 0.12 1.2 0.12 558 0.88 Pomona, 1987 DUL

598-74-3

(+-)-1,2-

Dimethylpropylamine 87 1.1 1.2 284 0.51 DUL

5813-64-9

2,2-Dimethyl-1-

propylamine 87 1.2 1.2 475 0.74 DUL

110-58-7 Amylamine 87 1.5 1.3 1.49 177 0.31 Hansch & Leo, 1985 DUL

34274-04-9

N-(3-Methoxypropyl)-3,4,5-

trimethoxybenzylamine 269 0.05 1.3 136 -0.30 DUL

124-02-7 Diallylamine 97 0.63 1.5 1.11 20 -0.69 Hansch & Leo, 1985 Bridie et al., 1979

108-91-8 Cyclohexylamine 99 1.4 1.6 1.49 90 -0.04 Hansch & Leo, 1985 Calamari et al., 1980

108-18-9 Diisopropylamine 101 1.1 1.6 1.4 196 0.29 Hansch & Leo, 1985 Calamari et al., 1980

96-29-7 2-Butanone oxime 87 0.36 1.7 0.63 843 0.99 Chem Inspect Test Inst, 1992 DUL

15673-00-4 3,3-Dimethylbutylamine 101 1.7 1.7 602 0.78 DUL

7250-67-1

1-(2-Chloroethyl) 

pyrrolidine Hydrochloride 170 1.4 1.7 153 -0.05 DUL

111-26-2 Hexylamine 101 2 1.8 2.06 56.6 -0.25 Hansch & Leo, 1985 DUL

103-83-3 N,N-Dimethylbenzylamine 135 2 1.8 1.98 37.8 -0.55 Hansch & Leo, 1985 DUL

60-13-9 Amphetamine sulfate 369 1.8 1.8 1.76 28.8 -1.11 Hansch & Leo, 1985; SangsterDUL

80-52-4 1,8-Diamino-p-menthane 170 1.2 1.9 65.3 -0.42 DUL

14321-27-8 N-Ethylbenzylamine 135 2 2 1.8 57.1 -0.37 Sangster, 1993 DUL

111-68-2 n-Heptylamine 115 2.5 2.3 2.57 21.8 -0.72 Hansch & Leo, 1985 DUL

768-94-5 1-Adamantanamine 151 2 2.4 2.44 25 -0.78 Hansch & Leo, 1985 DUL

CBI CBI 198 2.7 2.4 3.23 -1.79 P85-____

Page 12 of 36
CBI CBI 198 2.7 2.4 6.8 -1.46 P85-____

CBI CBI 198 2.7 2.4 12 -1.22 P85-____

CBI CBI 198 2.7 2.4 10.2 -1.29 P85-____

107-45-9 tert-Octylamine 129 2.4 2.6 24.6 -0.72 DUL

CBI CBI 238 MF 2.6 3.4 -1.85 P__-____

CBI CBI 494 1.2 2.6 5.8 33 -1.18 HPLC P92-____

693-16-3 1-Methylheptylamine 129 2.8 2.7 5.11 -1.40 DUL

693-16-3 1-Methylheptylamine 129 2.8 2.7 5.28 -1.39 DUL

111-86-4 Octylamine 129 3 2.8 2.9 5.19 -1.40 Sangster, 1993 DUL

111-92-2 Dibutylamine 129 2.7 2.8 2.83 37 -0.54 Hansch & Leo, 1985 Calamari et al., 1980

CBI CBI 212 2.4 2.9 1100 0.72 P93-____

102-69-2 Tripropylamine 143 2.8 3 2.79 50.9 -0.45 Hansch & Leo, 1985 DUL

CBI CBI 200 1.9 3.1 778 0.59 P89-____

112-20-9 Nonylamine 143 3.6 3.3 2.16 -1.82 DUL

91-65-6

N,NDiethylcyclohexylamine 155 3 3.3 21.4 -0.86 DUL

CBI CBI 392 MF 3.71 0.59 -2.82 P87-____

2016-57-1 n-Decylamine 157 4.1 3.8 1.03 -2.18 U.S. EPA, 1990 (ERL-D)

2016-57-1 n-Decylamine 157 4.1 3.8 1.04 -2.18 DUL

CBI CBI 278 4.3 3.8 3.17 4.6 -1.78 Unknown P00-____

7307-55-3 Undecylamine 171 4.6 4.3 0.21 -2.91 DUL

CBI CBI 217 4.9 4.4 0.21 -3.01 P85-____

CBI CBI 217 4.9 4.4 0.66 -2.52 P85-____

CBI CBI 217 4.9 4.4 0.72 -2.48 P85-____

CBI CBI 217 4.9 4.4 3.7 0.65 -2.52 Unknown P96-____

CBI CBI 217 4.9 4.4 3.7 0.6 -2.56 Unknown P96-____

CBI CBI 217 4.9 4.4 3.7 0.2 -3.04 Unknown P96-____

29873-30-1 N-Decylthioamine 217 4.9 4.4 0.22 -2.99 8(e)-3587

29873-30-1 N-Decylthioamine 217 4.9 4.4 0.7 -2.49 8(e)-3587

29873-30-1 N-Decylthioamine 217 4.9 4.4 0.77 -2.45 8(e)-3587

CBI CBI 228 4.9 4.4 13 -1.24 P94-____

CBI CBI 228 4.9 4.4 39 -0.77 P94-____

CBI CBI 253 4.9 4.4 0.11 -3.36 P85-____

CBI CBI 253 4.9 4.4 0.345 -2.87 P96-____

CBI CBI 253 4.9 4.4 0.38 -2.82 P96-____

CBI CBI 300 3.8 4.5 0.71 -2.63 P91-____

CBI CBI 367 4.1 4.5 2.8 -2.12 P90-____

143-16-8 Di-n-hexylamine 185 4.8 4.7 0.78 -2.38 DUL

56296-78-7 Fluoxetin hydrochloride 346 4.1 4.7

3.82; 

4.05 0.49 -2.85

Unknown; Adlard, M et al., 

1995 8(e)-15316

CBI CBI 411 6.8 4.7 0.33 -3.10 P02-____

124-22-1 Dodecyamine 185 5.2 4.8 0.103 -3.25 DUL

52898-18-7

1,3-Propanediamine, N- 3-

(dodecyloxy)propyl - 301 4.1 5 0.033 -3.96 8(e)-14601

NK

Hydrogenated 

cocoamidopropyldiethylami

ne-N-oxide 343 3 5.1 0.75 -2.66 8(e)-14655

CBI CBI 940 2.4 5.2 0.28 -3.53 P05-____

2869-34-3 Tridecylamine 199 5.7 5.3 0.0654 -3.48 DUL

CBI CBI 259 5.7 5.3 0.55 -2.67 T94-____

112-18-5 Dimethyl dodecyl amine 213 5.5 5.4 0.84 -2.40 SIDS, 1998

CBI CBI 295 MF 5.7 3.8 100 -0.47 HPLC P00-____

CBI CBI 316 5.7 5.7 4.9 1.466 -2.33 PMN est. P91-____

SAR Data Not Included in Regression Equation:

2706-56-1 2-(2-Aminoethyl) pyridine 122 -0.21 0.02 0.08 * Hansch & Leo, 1985 DUL

CBI CBI 341 3.7 4.4 4.4 * Unknown P03-____

CBI CBI 481 5.5 6.5 *4.4 *-2.04 CBI

CBI CBI 481 5.5 6.5 *13 *-1.57 CBI

CBI CBI 1527 7.1 6.7 *2.5 *-2.79 P98-____

CBI CBI 1527 7.1 6.7 *2.9 *-2.72 P98-____

CBI CBI 509 7.1 6.9 *1 *-2.71 CBI

CBI CBI 509 7.1 6.9 *7.9 *-1.81 CBI

CBI CBI 377 8.4 7.1 *2.3 *-2.21 P00-____

CBI CBI 501 7.1 7.1 *0.13 *-3.59 P98-_____

CBI CBI 501 7.1 7.1 *0.28 *-3.25 P98-_____

95-38-5

2-(8-Heptadecenyl)-4,5-

dihydro-1H-imidazole-1-

ethanol 351 7.9 7.5 *0.3 *-3.07 8(e)-4252

CBI CBI 439 5.7 7.5 *0.13 *-3.53 P97-____

CBI CBI 469 7.9 7.5 *0.45 *-3.02 P90-____

CBI CBI 494 8.6 8.1 0.82 -2.78 P05-____

CBI CBI 284 8.6 8.1 *0.44 *-2.81 P92-____

CBI CBI 582 MF 8.2 * P90-____

CBI CBI 423 8.7 9.1 *0.43 *-2.99 P00-____

CBI CBI 961 14.8 9.6 * P89-____

CBI CBI 565 14 13 *2.3 *-2.39 P91-____

CBI CBI 676 11 13 *0.525 *-3.11 P91-____

CBI CBI 1066 16 14 * P98-____

CBI CBI 1066 16 14 *4.4 *-2.38 P98-____

Page 13 of 36
Data Not Included in SAR:

333-18-6

Ethylenediamine 

dihydrochloride 133 MF -3.4 >100 >-0.12 Ewell et al., 1986

CBI CBI 503 3.3 -0.47 0.2 >2400 >0.68 CBI CBI

CBI CBI 503 3.3 -0.47 0.2 >2100 >0.62 CBI CBI

CBI CBI 262 0.1 0.35 >500 >0.28 P91-____

CBI CBI 189 0.52 0.86 >100 >-0.39 P05-____

CBI CBI 489 3.3 1.9 >101 >-0.68 P02-____

CBI CBI 451 2 3.8 >99 >-0.66 P93-____

CBI CBI 428 5.6 <0.1 <-3.63 8(e)-______

27136-73-8

2-(Heptadecenyl)-4,5-

dihydro-1H-imidazole-1-

ethanol 351 7.8 7.5 0.22 to 0.5 -3.2 to -2.85

CBI CBI 284 8.6 8.1 0.56 to 0.75 -2.71 to -2.58 P92-____

* indicates no effects at saturation

REFERENCES: 

Bridie AL, Wolff CJM, and Winter M. 1979. The acute toxicity of some petrochemicals to goldfish. 

Water Research 13:623-626. [A summary of studies also listed in the ‘Reference’ section.] 

Brooke LT, Call DJ, Geiger DL, Northcott CE, and Piorier SH (eds). 1984-1990 Acute toxicities of 

organic chemicals to Fathead minnows (Pimephales promelas). Superior, WI: Center for Lake 

Superior Environmental Studies, University of Wisconsin-Superior. Volume 1-5. [note: the five 

volumes have different author sequence & publication years] 

Calamari D, DaGasso R, Galassi S, Provini A, and Vighi M. 1980. Biodegradation and toxicity of 

selected amines on aquatic organisms. Chemosphere 9: 753-762. [A summary of studies also 

listed in the ‘Reference’ section.] 

Edsall, CC. 1991. Acute toxicities to larval Rainbow trout of representative compounds detected 

in Great Lake fish. Bull. Env. Contam. Toxicol. 46(2):173-178. 

Ewell WS, Gorsuch JW, Kringle RO, Robillard KA, and Spiegel RC. 1986. Simultaneous evolution 

of the acute effects of chemicals on seven aquatic species. Environ. Toxicol. Chem. 5:831-840. 

Platz RD, and Nabholz JV. 1990. Generic environmental hazard assessment of aliphatic amines. 

Washington, DC: Environmental Effects Branch, Health and Environmental Review Division (TS796), Office of Toxic Substances, United States Environmental Protection Agency. Unpublished 

manuscript. 

SIAR. 2005. SIDS Initial Assessment Report. SIAR for the 11th SIAM. N,N-Dimethyol 

dodecyamine. Sponsor country: Germany. [SIDS] 

U.S. Environmental Protection Agency (USEPA). 1990. Summary of structure-activity data files: 

University of Wisconsin-Superior (UWS) and ORD Environmental Research Laboratory, Duluth, 

MN (ERL-D) research team. Computer printout from Environmental Effects Branch, HERD, U.S. 

EPA, Washington, DC. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W. 

Page 14 of 36
SAR Aliphatic Amines 11/2007 

DAPHNID 48-h LC50 

ESTIMATED TOXICITY: 

The daphnid 48-h LC50 values used to develop this SAR were measured, and the octanol water 

partition coefficients (Kow) were calculated using the computer program, KOWWIN (Version 

1.67). The SAR equation used to estimate toxicity is: 

Log 48-h LC50 (mmol/L) = -0.5119 (log Kow) - 0.7278 

The LC50 is in millimoles per liter (mM/L); N = 44 + 15; and the Coefficient of Determination (R2

) 

= 0.554. To convert the LC50 from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 5.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Daphnia 48-h LC50

y = -0.5119x - 0.7278

R2

 = 0.5405

n = 43 + 16

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Daphnia 48-h LC50 

(mmol/L)

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

For aliphatic amines with log Kow values greater than 5.0, a test duration of greater than 48 hours 

may be required for proper expression of toxicity. Also, if the acute toxicity value obtained by the 

use of this equation exceeds the water solubility of the compound (measured or estimated), 

significant mortalities would not be expected in a saturated solution during an exposure period of 

48 hours. 

DATA: 

Page 15 of 36
CAS No. Chemical Name M.W.

log Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Daphnia 48-

h LC50 

(mg/L)

Log Daphnia 

48-h LC50 

(mmol/L) Reference (Meas. Kow)

Reference (Daphnia 48-h 

LC50)

CBI CBI 773 -7.6 -2.4 1.6 -2.68 P95-____

CBI CBI 144 -0.8 -2.2 1760 1.09 P90-____

111-42-2 Diethanolamine 105 -1.5 -1.7 -1.43 55 -0.28 Hansch & Leo, 1985 Le Blanc, 1980

111-42-2 Diethanolamine 105 -1.5 -1.7 -1.43 131 0.10 Hansch & Leo, 1985 Cowgill et al., 1985

107-15-3 Ethylenediamine 60 -1.2 -1.6 -2.04 26.5 -0.35 Hansch et al., 1995 Van Leeuwen et al., 1985

CBI CBI 317 -3.2 -1.2 1.7 -2.27 P95-____

74-89-5 Methylamine 31 -0.7 -0.64 -0.57 280 0.96 Hansch & Leo, 1985 Kuhn et al., 1989

CBI CBI 249 -0.25 -0.6 10.5 -1.38 P95-____

124-40-3 Dimethylamine 45 -0.51 -0.17 -0.38 50 0.05 Hansch & Leo, 1985 Van Leeuwen et al., 1985

CBI CBI 163 0.4 0.05 450 0.44 P03-____

CBI CBI 135 0.2 0.15 230 0.23 P91-____

CBI CBI 3.3 -0.47 0.2 117 1.55 Unknown CBI

CBI CBI 205 MF 0.2 51 -0.60 P96-____

CBI CBI 262 0.1 0.35 90 -0.46 P91-____

CBI CBI 143 1.1 0.4 42 -0.53 P91-____

CBI CBI 238 0 0.41 77 -0.49 P91-____

109-89-7 Diethylamine 73 0.54 0.81 0.58 56 -0.12 Hansch & Leo, 1985 Van Leeuwen et al., 1985

CBI CBI 154 0.37 0.95 46 -0.52 P94-____

54-11-5

(s)-3-Methyl-2-pyrrolidinyl 

pyridine nicotine 162 1.3 1 1.17 0.2 -2.91 Hansch & Leo, 1985 Smith, 1988

CBI CBI 157 1 1.2 4.3 -1.56 P83-____

CBI CBI 438 MF 2.2 1.18 -2.57 P87-____

CBI CBI 198 2.7 2.4 3.8 -1.72 P85-____

CBI CBI 198 2.7 2.4 4.51 -1.64 P85-____

CBI CBI 494 1.2 2.6 5.8 7.72 -1.81 HPLC P92-____

CBI CBI 173 1.3 2.7 15 -1.06 P88-____

CBI CBI 360 2.8 0.3 -3.08 8(e)-_____

CBI CBI 212 2.4 2.9 21 -1.00 P93-____

CBI CBI 200 1.9 3.1 10 -1.30 P89-____

54739-18-3 Fluvoxamine 318 3.1 0.84 -2.58 Henry et al., 2004

59729-33-8 Citalopram 324 3.7 3.9 -1.92 Henry et al., 2004

CBI CBI 278 4.3 3.8 3.17 5.2 -1.73 P00-____

54739-18-3 Paroxetine 329 4 0.58 -2.75 Henry et al., 2004

29873-30-1 N-Decylthioethylamine 217 4.9 4.4 0.045 -3.68 8(e)-3588

29873-30-1 N-Decylthioethylamine 217 4.9 4.4 0.034 -3.80 8(e)-3587

CBI CBI 217 4.9 4.4 3.7 0.03 -3.86 Unknown P85-____

CBI CBI 217 4.9 4.4 3.7 0.05 -3.64 Unknown P85-____

CBI CBI 217 4.9 4.4 3.7 0.03 -3.86 Unknown P96-____

CBI CBI 228 4.9 4.4 7.5 -1.48 P94-____

CBI CBI 253 4.9 4.4 0.033 -3.88 P85-____

CBI CBI 253 4.9 4.4 0.018 -4.15 P96-____

36362-09-1

2-(Decyl thio)-ethanamine 

hydrochloride 254 4.9 4.4 0.033 -3.89 8(e)-3307

54910-89-3 Fluoxetine 309 4.7 0.51 -2.78 Henry et al., 2004

CBI CBI 411 6.8 4.7 0.17 -3.38 P02-____

SAR Data Not Included in Regression Equation:

CBI CBI 341 3.7 4.4 4.4 * * Unknown P03-____

NK

Hydrogenated 

cocoamidopropyldiethylami

ne-N-oxide 343 3 5.1 *0.96 *-2.55 8(e)-14655

79617-96-2 Sertraline 306 5.3 *0.12 *-3.41 Henry et al., 2004

112-18-5 Dimethyl dodecyl amine 213 5.5 5.4 *0.083 *-3.41 SIDS, 1998

CBI CBI 295 MF 5.7 3.8 *0.012 *-4.39 HPLC P00-____

CBI CBI 295 MF 5.7 3.8 *0.51 *-2.76 HPLC P00-____

CBI CBI 316 5.7 5.7 4.9 *8.88 *-1.55 PMN est. P91-____

CBI CBI 323 5.6 5.7 *27 *-1.08 P95-____

CBI CBI 377 8.4 7.1 *0.065 *-3.76 P00-____

CBI CBI 439 5.7 7.5 *0.032 *-4.14 P97-____

CBI CBI 469 7.9 7.5 *0.23 *-3.31 P90-____

CBI CBI 614 11 7.5 *0.13 *-3.67 P90-____

CBI CBI 494 8.6 8.1 0.79 *-2.80 P05-____

CBI CBI 423 8.7 9.1 *0.04 *-4.02 P00-____

CBI CBI 565 14 13 *0.97 *-2.77 P91-____

CBI CBI 676 11 13 *0.55 *-3.09 P91-____

Data Not Included in SAR:

CBI CBI 189 0.52 0.86 270 0.15 P-05-____

* indicates no effects at saturation

REFERENCES: 

Cowgill UM, Takahashi IT, and Applegath SL. 1985. A comparison of the effect of four benchmark 

chemicals on Daphnia magna and Ceriodaphnia dubia/ affinis tested at two different 

temperatures. [A summary of studies also listed in the ‘Reference’ section.] 

Ewell WS, Gorsuch JW, Kringle RO, Robillard KA, and Spiegel RC. 1986. Simultaneous evolution 

of the acute effects of chemicals on seven aquatic species. Environ. Toxicol. Chem. 5:831-840. 

Page 16 of 36
Gersich FM, Millazzo DP, and Voos-Esquivel C. 1988. An invertebrate life-cycle study of the 

toxicity of Daphnia magna Straus. Mammalian and Environmental Toxicology Research 

Laboratory. Dow Chemical Company. Study ID: ES-DR-0065-5425-6. [A summary of studies also 

listed in the ‘Reference’ section.] 

Henry et al., 2004. Acute and chronic toxicity of five selective serotonin reuptake inhibitors to 

Ceriodaphnia dubia. Env Tox & Chem 23:2229-2233. 

 

LeBlanc GA. 1980. Acute Toxicity of priority pollutants to water flea (Daphnia magna). Bulletin of 

Environmental Contamination and Toxicology 24:684-691. [A summary of studies also listed in 

the ‘Reference’ section.] 

Lilius et al., 1995. Toxicity comparison of D. magna and D. pulex. Env Tox & Chem 14:2085-

2088. 

Platz RD, and Nabholz JV. 1990. Generic environmental hazard assessment of aliphatic amines. 

Washington, DC: Environmental Effects Branch, Health and Environmental Review Division (TS796), Office of Toxic Substances, United States Environmental Protection Agency. Unpublished 

manuscript. 

Smith SB, Perry CM. 1988. Toxicity of six heterocyclic nitrogen compounds to Daphnia pulex. 

Bull. Environ. Contam. Toxicol. 41(4):604-608. 

U.S. Environmental Protection Agency (USEPA). 1990. Summary of structure-activity data files: 

University of Wisconsin-Superior (UWS) and ORD Environmental Research Laboratory, Duluth, 

MN (ERL-D) research team. Computer printout from Environmental Effects Branch, HERD, U.S. 

EPA, Washington, DC. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W. 

Van Leeuwen CJ, MASS-Diepeveen JL, Niebeek G, Vergouw WHA, Griffioen PS, and Luijken 

MW. 1985. Aquatic toxicological aspects of dithiocarbamates and related compounds. I. Shortterm toxicity tests. Aquatic Toxicology 7:145-164. [A summary of studies also listed in the 

‘Reference’ section.] 

Page 17 of 36
SAR Aliphatic Amines 8/2008 

GREEN ALGAE 96-h EC50

ESTIMATED TOXICITY: 

The green algae 96-h EC50 values used to develop this SAR were measured, and the octanol 

water partition coefficients (Kow) were calculated using the computer program, KOWWIN 

(Version 1.67). The SAR equation used to estimate toxicity is: 

Log 96-h EC50 (mmol/L) = -0.3708 (log Kow) -1.3744 

The EC50 is in millimoles per liter (mM/L); N = 49 + 10; and the Coefficient of Determination (R2

) 

= 0.306. To convert the EC50 from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 7.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Algal 96-h EC50

y = -0.3708x - 1.3744

R2

 = 0.306

n = 49 + 10

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Algal 96-h EC50 

(mmol/L)

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 7, or if the compound is solid and the EC50 exceeds the water 

solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 18 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Algal 96-h 

EC50 

(mg/L)

Log Algal 96-

h EC50 

(mmol/L) Reference (Meas. Kow) Reference (Algal 96-h EC50)

CBI CBI 773 -7.6 -2.4 0.02 -4.59 P95-____

107-15-3 Ethylenediamine 60 -1.2 -1.6 -2.04 61 0.01 Hansch et al., 1995 Van Leeuwen et al., 1985

CBI CBI 132 -0.7 -1.5 27 -0.69 P94-____

CBI CBI 317 -3.2 -1.2 0.05 -3.80 P95-____

CBI CBI 329 -0.85 2.2 -2.17 P94-____

CBI CBI 89 -0.6 -0.74 480 0.73 P91-____

CBI CBI 249 -0.25 -0.6 6.2 -1.60 P95-____

CBI CBI 249 -0.25 -0.6 7.3 -1.53 P95-_____

110-91-8 Morpholine 87 -0.72 -0.56 -0.86 28 -0.49 Hansch & Leo, 1985 Calamari et al., 1980

124-40-3 Dimethylamine 45 -0.52 -0.17 -0.38 30 -0.18 Hansch & Leo, 1985 Van Leeuwen et al., 1985

124-40-3 Dimethylamine 45 -0.52 -0.17 -0.38 9 -0.70 Hansch & Leo, 1985 Calamari et al., 1980

CBI CBI 163 0.4 0.05 0.27 -2.78 P03-____

CBI CBI 135 0.2 0.15 36 -0.57 P91-____

CBI CBI 143 1.1 0.4 16 -0.95 P91-____

CBI CBI 238 0 0.41 38 -0.80 P91-____

CBI CBI 185 0.64 0.71 -2.42 8(e)-____

75-64-9 tert-Butylamine 73 0.57 0.72 0.4 16 -0.66 Hansch & Leo, 1985 Calamari et al., 1980

13952-84-6 (+-)-sec-Butylamine 73 0.74 0.76 0.74 275 0.58 Hansch & Leo, 1985 8(e)-14540

109-89-7 Diethylamine 73 0.54 0.81 0.58 56 -0.12 Hansch & Leo, 1985 Van Leeuwen et al., 1985

109-89-7 Diethylamine 73 0.54 0.81 0.58 20 -0.56 Hansch & Leo, 1985 Calamari et al., 1980

108-91-8 Cyclohexylamine 99 1.4 1.6 1.49 20 -0.69 Hansch et al., 1995 Calamari et al., 1980

108-18-9 Diisopropylamine 101 1.1 1.6 1.4 20 -0.70 Hansch et al., 1995 Calamari et al., 1980

CBI CBI 438 MF 2.2 0.21 -3.32 P87-____

98-94-2 Dimethylcyclohexylamine 127 2.1 2.3 0.31 -2.61 8(e)-14542

CBI CBI 161 2.7 2.4 1.04 -2.19 P85-____

CBI CBI 198 2.7 2.4 1 -2.30 P85-____

CBI CBI 592 6.5 2.5 0.14 -3.63 P88-____

CBI CBI 238 MF 2.6 4 -1.77 P91-____

CBI CBI 173 1.3 2.7 1.8 -1.98 P88-____

111-86-4 Octylamine 129 3 2.8 2.9 0.12 -3.03 Sangster, 1993 8(e)-14541

111-86-4 Octylamine 129 3 2.8 2.9 0.22 -2.77 Sangster, 1993 U.S.EPA, 1990 (ERL-D)

111-92-2 Dibutylamine 129 2.7 2.8 2.8 19 -0.83 Hansch & Leo, 1985 Calamari et al., 1980

CBI CBI 360 2.8 0.114 -3.50 8(e)-____

102-06-7 N,N'-Diphenyl-guanidine 211 MF 2.9 2.6 -1.91 8(e)-13109

CBI CBI 212 2.4 2.9 0.25 -2.93 P93-____

CBI CBI 487 3.4 3 28 -1.24 P02-____

CBI CBI 200 1.9 3.1 2.9 -1.84 P89-____

49745-95-1 Dobutamine hydrochloride 338 2.5 3.5 0.76 -2.65 8(e)-15346

CBI CBI 278 4.3 3.8 3.17 0.3 -2.97 Unknown P00-____

CBI CBI 228 4.9 4.4 0.06 -3.58 P94-____

CBI CBI 253 4.9 4.4 0.03 -3.93 P85-____

CBI CBI 341 3.7 4.4 4.4 0.14 -3.39 Unknown P03-____

CBI CBI 300 3.8 4.5 0.02 -4.18 P91-____

CBI CBI 411 6.8 4.7 0.1 -3.61 P02-____

CBI CBI 639 3.5 5.2 37 -1.24 P96-____

CBI CBI 940 2.4 5.2 0.33 -3.45 P05-____

112-18-5 Dimethyl dodecyl amine 213 5.5 5.4 0.007 -4.48 SIDS, 1998

CBI CBI 316 5.7 5.7 4.9 0.038 -3.92 PMN est. P91-____

CBI CBI 323 5.6 5.7 0.01 -4.51 P95-____

SAR Data Not Included in Regression Equation:

CBI CBI 377 8.4 7.1 *0.091 *-3.62 P00-____

CBI CBI 439 5.7 7.5 *0.052 *-3.93 P97-____

CBI CBI 469 7.9 7.5 *0.006 *-4.89 P90-____

CBI CBI 614 11 7.5 *0.23 *-3.43 P90-____

CBI CBI 328 7.1 8.1 *0.13 *-3.4 P86-____

CBI CBI 582 ` 8.2 * P90-____

CBI CBI 423 8.7 9.1 *0.035 *-4.08 P00-____

CBI CBI 676 11 13 *1.7 *-2.6 P91-____

CBI CBI 737 MF 14 * P89-____

CBI CBI 1066 16 14 *0.66 *-3.21 P98-____

Data Not Included in SAR:

CBI CBI 189 0.52 0.86 18 -1.02 P05-____

CBI CBI 737 MF 14 >10 >-1.87 CBI

* indicates no effects at saturation

REFERENCES: 

Calamari D, DaGasso R, Galassi S, Provini A, and Vighi M. 1980. Biodegradation and toxicity of 

selected amines on aquatic organisms. Chemosphere 9:753-762. [A summary of studies also 

listed in the ‘Reference’ section.] 

Platz RD, and Nabholz JV. 1990. Generic environmental hazard assessment of aliphatic amines. 

Washington, DC: Environmental Effects Branch, Health and Environmental Review Division (TS796), Office of Toxic Substances, United States Environmental Protection Agency. Unpublished 

manuscript. 

Page 19 of 36
U.S. Environmental Protection Agency (USEPA). 1990. Summary of structure-activity data files: 

University of Wisconsin-Superior (UWS) and ORD Environmental Research Laboratory, Duluth, 

MN (ERL-D) research team. Computer printout from Environmental Effects Branch, HERD, U.S. 

EPA, Washington, DC. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W. 

Van Leeuwen CJ, Maas-Diepeveen JL, Niebeek G, Vergouw WHA, Griffioen PS, and Luijken 

MW. 1985. Aquatic toxicological aspects of dithiocarbamates and related compounds. I. Shortterm toxicity tests. Aquatic Toxicology 7:145-164. [A summary of studies also listed in the 

‘Reference’ section.] 

Page 20 of 36
SAR Aliphatic Amines 11/2007 

FISH ChV 

ESTIMATED TOXICITY: 

The fish chronic values (ChV) used to develop this SAR were measured and the octanol water 

partition coefficients (Kow) were calculated using the computer program, KOWWIN (Version 

1.67). The SAR equation used to estimate toxicity is: 

Log ChV (mmol/L) = -0.5648 (log Kow) - 1.3894 

The ChV is in millimoles per liter (mM/L); N = 3; and the Coefficient of Determination (R2

) = 

0.9979. To convert the ChV from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 8.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Fish ChV

y = -0.5648x - 1.3894

R2

 = 0.9979

n = 3

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Fish ChV (mmol/

L

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 8.0, or if the compound is solid and the ChV exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 21 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Fish ChV 

(mg/L)

Log Fish ChV 

(mmol/L) Reference (Meas. Kow) Reference (Fish ChV)

54-11-5

(s)-3-Methyl-2-pyrrolidinyl 

pyridine nicotine 162 1.3 1 1.17 1.8 -1.95 Hansch & Leo, 1985 Passino-Reader, 1995

CBI CBI 253 4.9 4.4 0.03 -3.93 P85-____(Analogue),P96-____

36362-09-1

2-(Decyl thiol) ethyl amine 

hydrochloride 253 4.9 4.4 0.038 -3.82 8(e)-3305

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

* indicates no effects at saturation

REFERENCES: 

Passino-Reader DR, Berlin WH, and Hickey JP. 1995. Chronic bioassays of Rainbow trout fry 

with compounds representative of contaminants in Great Lakes fish. J. Great Lakes Res. 21:373-

383. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W.

Page 22 of 36
SAR Aliphatic Amines 11/2007 

DAPHNID ChV 

ESTIMATED TOXICITY: 

The daphnid chronic values (ChV) used to develop this SAR were measured and the octanol 

water partition coefficients (Kow) were calculated using the computer program, KOWWIN 

(Version 1.67). The SAR equation used to estimate toxicity is: 

Log ChV (mmol/L) = -0.0977 (log Kow) - 3.7304 

The ChV is in millimoles per liter (mM/L); N =3; and the Coefficient of Determination (R2

) = 

0.9538. To convert the ChV from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 8.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Daphnia ChV

y = -0.0977x - 3.7304

R2

 = 0.9538

n = 3 

-6.00

-4.00

-2.00

0.00

2.00

4.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Daphnia ChV (mmol/

L

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 8.0, or if the compound is solid and the ChV exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 23 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Daphnia 

ChV (mg/L)

Log Daphnia 

ChV (mmol/L) Reference (Meas. Kow) Reference (Daphnia ChV)

CBI CBI 326 MF 5.4 0.018 -4.26 8(e)-____

CBI CBI 253 4.9 4.4 0.018 -4.15 P85-____

CBI CBI 253 4.9 4.4 0.017 -4.17 P96-____

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

36362-09-1

2-(Decyl thiol) ethyl amine 

hydrochloride 253 4.9 4.4

0.013-

0.0248 -4.29 to -4.01 8(e)-3307

* indicates no effects at saturation

REFERENCES: 

Platz RD, and Nabholz JV. 1990. Generic environmental hazard assessment of aliphatic amines. 

Washington, DC: Environmental Effects Branch, Health and Environmental Review Division (TS796), Office of Toxic Substances, United States Environmental Protection Agency. Unpublished 

manuscript. [A summary of studies also listed in the ‘Reference’ section.] 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W.

Page 24 of 36
SAR Aliphatic Amines 11/2007 

GREEN ALGAE ChV 

ESTIMATED TOXICITY: 

The green algae chronic values (ChV) used to develop this SAR were measured and the octanol 

water partition coefficients (Kow) were calculated using the computer program, KOWWIN 

(Version 1.67). The SAR equation used to estimate toxicity is: 

Log ChV (mmol/L) = -0.4862 (log Kow) - 1.5487 

The ChV is in millimoles per liter (mM/L); N = 32 + 7; and the Coefficient of Determination (R2

) = 

0.5639. To convert the ChV from mM/L to mg/L, multiply by the molecular weight of the 

compound. 

Maximum Kow: 7.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Algal ChV

y = -0.4862x - 1.5487

R2

 = 0.5639

n = 32 + 7

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Algal ChV (mmol/

L

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines with log Kow values less than or 

equal to 7.0 and molecular weights less than 1000. 

LIMITATIONS: 

If the log Kow value is greater than 7.0, or if the compound is solid and the ChV exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 25 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Algal ChV 

(mg/L)

Log Algal 

ChV (mmol/L) Reference (Meas. Kow) Reference (Algal ChV)

CBI CBI 132 -0.7 -1.5 16.7 -0.90 P94-____

CBI CBI 329 -0.85 1.6 -2.31 P94-____

CBI CBI 89 -0.6 -0.74 140 0.20 P91-____

CBI CBI 249 -0.25 -0.6 1.8 -2.14 P95-____

110-91-8 Morpholine 87 -0.72 -0.56 -0.86 10 -0.94 Hansch & Leo, 1985 Calamari et al., 1980

124-40-3 Dimethylamine 45 -0.52 -0.17 -0.38 2 -1.35 Hansch & Leo, 1985 Calamari et al., 1980

CBI CBI 163 0.48 0.05 0.01 -4.21 P03-____

CBI CBI 135 0.2 0.15 15 -0.95 P91-____

CBI CBI 205 MF 0.2 5 -1.61 P96-____

CBI CBI 143 1.1 0.4 9 -1.20 P91-____

CBI CBI 238 0 0.41 28 -0.93 P91-____

CBI CBI 185 0.64 0.4 -2.67 8(e)-____

75-64-9 tert-Butylamine 73 0.57 0.72 0.4 2 -1.56 Hansch & Leo, 1985 Calamari et al., 1980

109-89-7 Diethylamine 73 0.54 0.81 0.58 2 -1.56 Hansch & Leo, 1985 Calamari et al., 1980

108-91-8 Cyclohexylamine 99 1.4 1.6 1.49 5 -1.30 Hansch & Leo, 1985 Calamari et al., 1980

108-18-9 Diisopropylamine 101 1.1 1.64 1.4 5 -1.31 Hansch et al., 1995 Calamari et al., 1980

CBI CBI 438 MF 2.2 0.042 -4.02 P87-____

111-92-2 Dibutylamine 129 2.7 2.8 2.83 2.5 -1.71 Hansch & Leo, 1985 Calamari et al., 1980

111-86-4 Octylamine 129 3 2.8 2.9 0.65 -2.30 Sangster, 1993 Calamari et al., 1980

CBI CBI 212 2.4 2.9 0.24 -2.95 P93-____

CBI CBI 487 3.4 3 4.5 -2.03 P02-____

CBI CBI 200 1.93 3.1 1.6 -2.10 P89-____

CBI CBI 278 4.3 3.8 3.17 0.22 -3.10 Unknown P00-____

CBI CBI 228 4.9 4.4 0.013 -4.24 P94-____

CBI CBI 253 4.9 4.4 0.009 -4.45 P85-____

CBI CBI 341 3.7 4.4 4.4 0.035 -3.99 HPLC P03-____

CBI CBI 300 3.8 4.5 0.017 -4.25 P91-____

CBI CBI 411 6.8 4.7 0.07 -3.77 P02-____

CBI CBI 639 3.5 -1.6 4 -2.20 P96-____

CBI CBI 940 2.4 5.2 0.18 -3.72 P05-____

CBI CBI 316 5.7 5.7 4.9 0.005 -4.80 PMN est. P91-____

CBI CBI 323 5.6 5.7 0.002 -5.21 P95-____

SAR Data Not Included in Regression Equation:

CBI CBI 377 8.4 7.1 *0.054 *-3.84 P00-____

CBI CBI 439 5.7 7.5 *0.01 *-4.64 P97-____

CBI CBI 469 7.9 7.5 *0.002 *-5.37 P90-____

CBI CBI 614 11 7.5 *0.1 *-3.79 P90-____

CBI CBI 423 8.7 9.1 *0.009 *-4.67 P00-____

CBI CBI 676 11 13 *0.44 *-3.19 P91-____

CBI CBI 1066 16 14 *0.47 *-3.36 P98-____

Data Not Included in SAR:

CBI CBI 189 0.52 0.86 4.4 -1.63 P05-____

* indicates no effects at saturation

REFERENCES: 

Calamari D, DaGasso R, Galassi S, Provini A, and Vighi M. 1980. Biodegradation and toxicity of 

selected amines on aquatic organisms. Chemosphere 9:753-762. 

Platz RD, and Nabholz JV. 1990. Generic environmental hazard assessment of aliphatic amines. 

Washington, DC: Environmental Effects Branch, Health and Environmental Review Division (TS796), Office of Toxic Substances, United States Environmental Protection Agency. Unpublished 

manuscript. [A summary of studies also listed in the ‘Reference’ section.] 

U.S. Environmental Protection Agency (USEPA). 1989. Report on alga toxicity tests on selected 

OTS chemicals. Unpublished preliminary draft. Corvallis Environmental Research Laboratory. 

Corvallis, OR: United States Environmental Protection Agency. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from data submitted under the “Toxic Substance Control Act” (TSCA). Public Law 94-469, 90 

Stat. 2003, October 11, 1976. Washington DC: OPPT, USEPA, 1400 Pennsylvania Ave., N.W.

Page 26 of 36
SAR Aliphatic Amines 11/2007 

FISH (SW) 96-h LC50 (Mortality) 

ESTIMATED TOXICITY: 

No adequate data were available for the aliphatic amines SAR fish (SW) acute endpoint. 

Predictions for this endpoint are based on the aliphatic amines SAR for the freshwater fish 96-h 

LC50 endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h LC50 (mmol/L) = -0.5978 (log Kow) + 0.4684 

The EC50 is in millimoles per liter (mM/L). To convert the LC50 from mM/L to mg/L, multiply by 

the molecular weight of the compound. 

Maximum Kow: 6.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Fish (SW) 96-h LC50

F96 Aliphatic Amines SAR

Equation

y = -0.5978x + 0.4684

-6

-4

-2

0

2

4

6

-5.0 -4.0 -3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0

Log Kow (EPI)

Log Fish (SW) 96-h LC5

(mmol/L)

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 6.0, or if the compound is solid and the LC50 exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 27 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Fish (SW) 

96-h LC50 

(mg/L)

Log Fish 

(SW) 96-h 

LC50 

(mmol/L) Reference (Meas. Kow)

Reference (Fish (SW) 96-h 

LC50)

CBI CBI 455 3.4 2 17 -1.43 P93-____

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

* indicates no effects at saturation

REFERENCES: 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

Page 28 of 36
SAR Aliphatic Amines 11/2007 

MYSID SHRIMP (SW) 96-h LC50 (Mortality) 

ESTIMATED TOXICITY: 

No adequate data were available for the aliphatic amines SAR mysid (SW) EC50 endpoint. 

Predictions for this endpoint are based on the aliphatic amines SAR for the freshwater daphnid 

48-h endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h EC50 (mmol/L) = -0.5224 (log Kow) - 0.7287 

The EC50 is in millimoles per liter (mM/L). To convert the EC50 from mM/L to mg/L, multiply by 

the molecular weight of the compound. 

Maximum Kow: 6.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Mysid 48-h EC50

D48 Aliphatic Amines SAR

Equation

y = -0.5224x - 0.7287

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Mysid 48-h EC50 (mmol/

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 6, or if the compound is solid and the LC50 exceeds the water 

solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 29 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Mysid 48-h 

LC50 

(mg/L)

Log Mysid 48-

h LC50 

(mmol/L) Reference (Meas. Kow) Reference (Mysid 48-h LC50)

CBI CBI 455 3.4 2 2.6 -2.24 P93-____

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

* indicates no effects at saturation

REFERENCES: 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

Page 30 of 36
SAR Aliphatic Amines 11/2007 

GREEN ALGAE (SW) 96-h EC50 

ESTIMATED TOXICITY: 

No adequate data were available for the aliphatic amines SAR green algae (SW) EC50 endpoint. 

Predictions for this endpoint are based on the aliphatic amines SAR for the freshwater green 

algae 96-h endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h EC50 (mmol/L) = -0.3725 (log Kow) - 1.3828 

The EC50 is in millimoles per liter (mM/L). To convert the EC50 from mM/L to mg/L, multiply by 

the molecular weight of the compound. 

Maximum Kow: 7.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Algal (SW) 96-h EC50

GA96 Aliphatic Amines SAR

Equation

y = -0.3725x - 1.3828

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Algal (SW) 96-h EC

5

(mmol/L)

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 7.0, or if the compound is solid and the EC50 exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 31 of 36
CAS No. Chemical Name M.W.

log 

Kow 

(CLogP)

log 

Kow 

(EPI )

log Kow 

(M)

Algal (SW) 

96-h EC50 

(mg/L)

Log Algal 

(SW) 96-h 

EC50 

(mmol/L) Reference (Meas. Kow)

Reference (Algal (SW) 96-h 

EC50)

CBI CBI 455 3.4 2 0.5 -2.96 P93-____

141-43-5 Monoethanolamine 61 -1.3 -1.6 -1.31 80 0.12 Hansch C. et al., 1995 Roseth S. et al., 1996

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

* indicates no effects at saturation

REFERENCES: 

Roseth S, Edvardsson T, Stenersen J. 1996. Comparison of acute toxicity of process chemicals 

used in the oil refinery. Toxicol. Chem. 15:1211. 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data.) 

Page 32 of 36
SAR Aliphatic Amines 11/2007 

FISH (SW) ChV 

ESTIMATED TOXICITY: 

No adequate data were available for the aliphatic amines SAR fish (SW) chronic value (ChV) 

endpoint. Predictions for this endpoint are based on the aliphatic amines SAR for the freshwater 

fish ChV endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h ChV (mmol/L) = -0.5648 (log Kow) – 1.3894 

The Chv is in millimoles per liter (mM/L). To convert the ChV from mM/L to mg/L, multiply by the 

molecular weight of the compound. 

Maximum Kow: 8.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Fish(SW) ChV

FChV Aliphatic Amines SAR

Equation

y = -0.5648x - 1.3894

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Fish (SW) ChV (mmol/

L

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 8.0, or if the compound is solid and the ChV exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

REFERENCES: 

Page 33 of 36
SAR Aliphatic Amines 11/2007 

MYSID SHRIMP (SW) ChV 

ESTIMATED TOXICITY: 

No adequate data were available for the aliphatic amines SAR mysid (SW) chronic value (ChV) 

endpoint. Predictions for this endpoint are based on the aliphatic amines SAR for the freshwater 

daphnid ChV endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h ChV (mmol/L) = -0.0977 (log Kow) – 3.7304 

The ChV is in millimoles per liter (mM/L). To convert the ChV from mM/L to mg/L, multiply by the 

molecular weight of the compound. 

Maximum Kow: 8.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Mysid ChV

DChV Aliphatic Amines SAR

Equation

y = -0.0977x - 3.7304

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Mysid (SW) ChV (mmol/

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 8.0, or if the compound is solid and the ChV exceeds the 

water solubility by 10X, no effects at saturation are predicted. 

DATA: 

REFERENCES:

Page 34 of 36
SAR Aliphatic Amines 11/2007 

GREEN ALGAE (SW) ChV 

No adequate data were available for the aliphatic amines SAR green algae (SW) chronic value 

(ChV) endpoint. Predictions for this endpoint are based on the aliphatic amines SAR for the 

freshwater green algae ChV endpoint. The SAR equation used to estimate toxicity is: 

Log 96-h ChV (mmol/L) = -0.4731 (log Kow) – 1.597 

The ChV is in millimoles per liter (mM/L). To convert the ChV from mM/L to mg/L, multiply by the 

molecular weight of the compound. 

Maximum Kow: 7.0 

Maximum MW: 1000 

GRAPH: 

SAR for: 

Aliphatic Amines, Algal (SW) ChV

GAChV Aliphatic Amines SAR

Equation

y = -0.4731x - 1.597

-6.00

-4.00

-2.00

0.00

2.00

4.00

6.00

-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 6.0 7.0 8.0

Log Kow (EPI)

Log Algal (SW) ChV (mmol/

L

APPLICATION: 

This SAR may be used to estimate toxicity for aliphatic amines. 

LIMITATIONS: 

If the log Kow value is greater than 7, or if the compound is solid and the ChV exceeds the water 

solubility by 10X, no effects at saturation are predicted. 

DATA: 

Page 35 of 36
CAS No. Chemical Name M.W.

CLogP 

Kow

SRC 

log 

Kow

Meas. 

log Kow

Algal (SW) 

ChV (mg/L)

Log Algal 

(SW) ChV 

(mmol/L) Reference (Meas. Kow) Reference (Algal (SW) ChV)

CBI CBI 455 3.4 2 0.37 -3.09 P93-____

SAR Data Not Included in Regression Equation:

Data Not Included in SAR:

* indicates no effects at saturation

REFERENCES: 

U.S. Environmental Protection Agency (USEPA). 2006. Database of environmental toxicity data 

from Premanufacture Notifications (PMN). Washington DC: Risk Assessment Division (RAD), 

OPPT, USEPA, 1400 Pennsylvania Ave., N.W. (Unpublished test data

Page 36 of 36