Compound: DIETHANOLAMINE
SMILES: OCCNCCO
InChIKey: ZBCBWPMODOFKDW-UHFFFAOYSA-N
Synonyms: DIETHANOLAMINE, 111-42-2, 2,2'-Iminodiethanol, Diolamine, Iminodiethanol, Bis(2-hydroxyethyl)amine, 2-(2-Hydroxyethylamino)ethanol, Diethanolamin, Diethylolamine, 2,2'-Dihydroxydiethylamine, N,N-Diethanolamine, Ethanol, 2,2'-iminobis-, Di(2-hydroxyethyl)amine, 2,2'-Iminobisethanol, N,N'-Iminodiethanol, Niax DEOA-LF, Diaethanolamin, Bis(hydroxyethyl)amine, Dabco DEOA-LF, 2-[(2-hydroxyethyl)amino]ethan-1-ol, N,N-Bis(2-hydroxyethyl)amine, 2,2'-Iminodi-1-ethanol, N,N-Di(hydroxyethyl)amine, H2dea, NCI-C55174, Di(beta-hydroxyethyl)amine, 2,2'Iminobisethanol, Bis-2-hydroxyethylamine, Diethylamine, 2,2'-dihydroxy-, Tegoamin deoa 85, Ethanol, 2,2'-iminodi-, AZE05TDV2V, 2-[(2-Hydroxyethyl)amino]ethanol, NSC-4959, DTXSID3021932, DTXCID601932, CHEBI:28123, 2-((2-Hydroxyethyl)amino)ethanol, 2-((2-hydroxyethyl)amino)ethan-1-ol, 2,2'-Dihydroxydiethyamine, RefChem:5745, diethanolamine sulfite (1:1), 203-868-0, 2,2'-Azanediyldiethanol, MFCD00002843, Diolamine [INN], 2,2'-Iminobis[ethanol], NSC 4959, Diethanolamine (NF), Diethanolamine [NF], bis-(2-hydroxy-ethyl)-amine, Diolamine (VAN), AMINE,DIETHYL,2,2'-DIHYDROXY   DIETHANOLAMINE, Diethanolamin [Czech], Diaethanolamin [German], 2,2'-Iminodiethanol (Diethanolamine), CAS-111-42-2, CCRIS 5906, HSDB 924, ethane, 1-hydroxy-2-(2-hydroxyethyl)amino-, EINECS 203-868-0, UNII-AZE05TDV2V, BRN 0605315, diethanolarnine, Diolamina, diethanol amine, Aliphatic amine, AI3-15335, 2,2'-Iminobis, Diethanolamine, 99%, Ethanol,2'-iminodi-, N, N-diethanol amine, Ethanol,2'-iminobis-, Trolamine impurity B CRS, bis-(2-hydroxyethyl)amine, bmse000371, DIOLAMINE [MART.], Diethanol, 2,2'-imino-, DIETHANOLAMINE [II], DIETHANOLAMINE [MI], EC 203-868-0, Diethylamine,2'-dihydroxy-, SCHEMBL2324, bis-(2-hydroxyethyl)-amine, NCIOpen2_008991, WLN: Q2M2Q, (HOCH2 CH2)2NH, DIETHANOLAMINE [HSDB], DIETHANOLAMINE [IARC], ghl.PD_Mitscher_leg0.542, 4-04-00-01514 (Beilstein Handbook Reference), bis-(2-hydroxy-ethyl) amine, MLS001065608, BIDD:GT0277, DIETHANOLAMINE [VANDF], SCHEMBL180219, SCHEMBL770451, Diethanolamine, LR, >=98%, CHEMBL119604, SCHEMBL2196887, SCHEMBL5843119, SCHEMBL9120141, DIETHANOLAMINE [USP-RS], SCHEMBL23356724, SCHEMBL29080035, 2,2'-Azanediyldi(ethan-1-ol), 2-(2-hydroxy-ethylamino)ethanol, 2-(2-hydroxyethylamino)-ethanol, Diethanolamine, Biochemical grade, MSK9086, NSC4959, 2,2'-Azanediylbis(ethan-1-ol), Diethanolamine, ACS reagent grade, 2-(2-hydroxy-ethylamino)-ethanol, Diethanolamine, analytical standard, Diethanolamine, puriss., 99.0%, HMS2269D18, STR03965, Tox21_201701, Tox21_300034, Diethanolamine, BioXtra, >=98.5%, EBC-03041, SBB059779, STL264122, AKOS000119884, Diethanolamine, ACS reagent, >=98.5%, NCGC00091478-01, NCGC00091478-02, NCGC00091478-03, NCGC00091478-04, NCGC00254061-01, NCGC00259250-01, BP-31238, Diethanolamine, reagent grade, >=98.0%, SMR000112130, TROLAMINE IMPURITY B [EP IMPURITY], Diethanolamine, BioUltra, >=99.5% (GC), Diethanolamine, SAJ first grade, >=98.0%, I0008, NS00005053, S0376, ST51046050, Diethanolamine(Discontinued,See C4X-25721), Diethanolamine, JIS special grade, >=99.0%, EN300-19762, C06772, D02337, D92250, F234996, Q418437, Diethanolamine [Matrix for FABMS and liquid SIMS], F2190-0311, Z104475196, BFC20619-2EDF-4764-8E91-830AA892BD39, Diethanolamine, puriss. p.a., ACS reagent, >=99.0% (GC), InChI=1/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H, Diethanolamine, United States Pharmacopeia (USP) Reference Standard, Trolamine impurity B, European Pharmacopoeia (EP) Reference Standard, Diethanolamine, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C4H11NO2
molecular_weight: 105.14 g/mol
exact_mass: 105.078978594 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 7
topological_polar_surface_area: 52.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: A faintly colored, viscous liquid or deliquescent prisms
color: A faintly colored, viscous liquid or deliquescent prisms
odor: Mild, ammonia-like odor
boiling_point: 516.4 °F at 760 mmHg (Decomposes) (NTP, 1992)
melting_point: 82 °F (NTP, 1992)
density: 1.095 at 82.4 °F (USCG, 1999) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 57 °F (NTP, 1992)
flash_point: 279 °F (NTP, 1992)
vapor_pressure: 5 mmHg at 280 °F ; <0.01 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: Diethanolamine can cause cancer according to California Labor Code.
chebi: A member of the class of ethanolamines that is ethanolamine having a <em>N</em>-hydroxyethyl substituent.
chembl: DIETHANOLAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Diethanolamine, often abbreviated as DEA or DEOA, is an organic compound with the formula HN(CH2CH2OH)2. Pure diethanolamine is a white solid at room temperature, but its tendencies to absorb water and to supercool often results in it being found in a colorless, viscous liquid state. Diethanolamine is polyfunctional, being a secondary amine and a diol. Like other organic amines, diethanolamine acts as a weak base. Reflecting the hydrophilic character of the secondary amine and hydroxyl groups, DEA is soluble in water. Amides prepared from DEA are often also hydrophilic. In 2013, the chemical was classified by the International Agency for Research on Cancer as "possibly carcinogenic to humans" (Group 2B).