JAZL/ChemGist-CHON huggingface dataset:
Compound: AMINOREX
SMILES: O1C(=NCC1c2ccccc2)N
InChIKey: SYAKTDIEAPMBAL-UHFFFAOYSA-N
Synonyms: AMINOREX, Apiquel, Aminoxafen, Aminoxaphen, 2207-50-3, 2-Amino-5-phenyl-2-oxazoline, McN-742, 2-Oxazolamine, 4,5-dihydro-5-phenyl-, NSC-66952, 5-Phenyl-4,5-dihydro-1,3-oxazol-2-amine, Aminorexum, DTXSID00862867, 4,5-Dihydro-5-phenyl-2-oxazolamine, 2SH16612I9, NSC66952, RefChem:388793, DTXCID80811575, 636-641-3, McN 742, 2-Oxazoline, 2-amino-5-phenyl-, Aminorex (1 mg/ml in Acetronitrile), Aminorexum [INN-Latin], Aminorex [USAN:INN:BAN], DEA No. 1585, SYAKTDIEAPMBAL-UHFFFAOYSA-N, Apiquel (TN), 2-Amino-4,5-dihydro-5-phenyloxazol, NSC 66952, Menocil (Salt/Mix), 2-Amino-4,5-dihydro-5-phenyloxazole, AMINOREX [HSDB], AMINOREX [USAN], SpecPlus_000839, Aminorex (USAN/INN), AMINOREX [INN], AMINOREX [MI], AMINOREX [MART.], AMINOREX [WHO-DD], 2-Imino-5-phenyl-oxazolidin, Aminorex fumarate (Salt/Mix), DivK1c_006935, SCHEMBL123039, CHEMBL106258, UNII-2SH16612I9, BDBM85705, HSDB 7596, KBio1_001879, WLN: T5N CO AUTJ BZ DR, CHEBI:134792, 2-Oxazolamine,5-dihydro-5-phenyl-, NSC_16630, AKOS006271622, DB01490, CAS_2207-50-3, DB-090502, NS00014917, (+/-)-2-AMINO-5-PHENYL-2-OXAZOLINE, 5-Phenyl-4,5-dihydro-1,3-oxazol-2-amine #, D02909, Q4064330
Theoretical properties:
molecular_formula: C9H10N2O
molecular_weight: 162.19 g/mol
exact_mass: 162.079312947 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 47.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from benzene
color: Crystals from benzene
Descriptions:
pubchem: Aminorex is a member of benzenes.
chembl: AMINOREX is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Aminorex, sold under the brand names Menocil and Apiquel among others, is a weight loss (anorectic) stimulant drug. It was withdrawn from the market after it was found to cause pulmonary hypertension (PPH). In the United States, aminorex is a Schedule I controlled substance.
Aminorex, in the 2-amino-5-aryloxazoline group, was developed by McNeil Laboratories in 1962. It is closely related to 4-methylaminorex (4-MAR). Aminorex has been shown to have locomotor-stimulant effects, lying midway between dextroamphetamine and methamphetamine. Aminorex effects have been attributed to the release of catecholamines. It can be produced as a metabolite of the deworming medication levamisole, which is very frequently used as a cutting agent of illicitly produced cocaine.
Compound: CYCLOBARBITAL
SMILES: O=C1NC(=O)C(C2=CCCCC2)(CC)C(N1)=O
InChIKey: WTYGAUXICFETTC-UHFFFAOYSA-N
Synonyms: CYCLOBARBITAL, Cyclobarbitone, Hexemal, Tetrahydrophenobarbital, 52-31-3, Phanodorn, Ciclobarbital, Cyclobarbitonum, 5-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid, Cyclobarbitalum, 0M8A98AD9H, DTXSID9022865, 2,4,6-(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-, 5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione, Cyclobarbital-Calcium, RefChem:580201, DTXCID602865, N05CA10, 200-138-3, Ethylhexabital, Cyclodorm, Fanodormo, Philodorm, Sonaform, Cavonyl, Irifan, Namuron, Palinum, Pro-Sonil, Amnosed, Cyklodorm, Pralumin, Adorm, Cyclobarbitol, Cyclobarbiton, Cyclobarbital [INN], Cyclohexenyl-ethyl barbituric acid, 5-Ethyl-5-cyclohexenylbarbituric acid, 5-(1-Cyclohexen-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(1-Cyclohexenyl)-5-ethylbarbituric acid, Cyclohexal, Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-, Cyclobarbital (INN), Fanodorm, Hexemalum, Praelumin, Sonoform, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-, Ciclobarbital [INN-Spanish], Cyclobarbitalum [INN-Latin], Cyclobarbitone [BAN], EINECS 200-138-3, UNII-0M8A98AD9H, Cyclobarbital [INN:BAN:NF], Zyklohexenylaethylbarbitursaeure, 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione, CYCLOBARBITAL [MI], BIDD:PXR0072, CYCLOBARBITAL [MART.], SCHEMBL157224, CYCLOBARBITAL [WHO-DD], CHEMBL268164, SCHEMBL23533905, CHEBI:134957, DB13737, NS00004545, D07323, Q416966, 5-Cyclohexenyl-5-A currencythyl-barbitursA currencyure, 5-cyclohex-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione, pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(1-cyclohexen-1-yl)-5-ethyl-, InChI=1/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17
Theoretical properties:
molecular_formula: C12H16N2O3
molecular_weight: 236.27 g/mol
exact_mass: 236.11609238 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 17
topological_polar_surface_area: 75.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Cyclobarbital is a member of barbiturates.
chembl: CYCLOBARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Cyclobarbital, cyclobarbitol or cyclobarbitone is a barbiturate derivative developed in the early 1970s in the Soviet Union. 
It was available in Russia until 2019, marketed and distributed as Reladorm, a fixed-dose combination pairing 100 mg cyclobarbital and 10 mg diazepam (a benzodiazepine anxiolytic, muscle relaxant, and anticonvulsant) indicated for treating insomnia before it was discontinued in 2019.
Compound: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-
SMILES: O=C1NC(=O)C(CC=C)(CC)C(N1)=O
InChIKey: QPADNTZLUBYNEN-UHFFFAOYSA-N
Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-, RefChem:442823, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-(9CI), Ethallobarbital, Aethallymal, Dorval, 2373-84-4, etallobarbital, Dormitiv, 5-Allyl-5-ethylbarbituric acid, 5-ethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, Barbituric acid, 5-allyl-5-ethyl-, 6F1R68CB4I, NSC-32312, Aethylal, Go 1067, EINECS 219-152-6, 5-Aethyl-5-allylbarbitursaure [German], BRN 0167233, UNII-6F1R68CB4I, 5-Aethyl-5-allylbarbitursaure, 5-allyl-5-ethylpyrimidine-2,4,6(1h,3h,5h)-trione, 5-ethyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, 5-Ethyl-5-allylbarbitursaure, SCHEMBL713588, 5-ethyl-5-allylbarbituric acid, SCHEMBL4378402, CHEMBL1988479, ETHALLOBARBITAL [WHO-DD], DTXSID70178407, CHEBI:136028, NSC32312, NSC 32312, AKOS003398681, GO-1067, NCI60_002802, ST095733, NS00027476, Q5402855, 5-Allyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #, 5-ethyl-5-prop-2-enyl-1,3,5-trihydropyrimidine-2,4,6-trione
Theoretical properties:
molecular_formula: C9H12N2O3
molecular_weight: 196.20 g/mol
exact_mass: 196.08479225 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 75.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Etallobarbital is a member of barbiturates.
chembl: ETALLOBARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: The Controlled Drugs and Substances Act (French: Loi réglementant certaines drogues et autres substances) is Canada's federal drug control statute. Passed in 1996 under Prime Minister Jean Chrétien's government, it repeals the Narcotic Control Act and Parts III and IV of the Food and Drugs Act, and establishes eight Schedules of controlled substances and two Classes of precursors. It provides that "The Governor in Council may, by order, amend any of Schedules I to VIII by adding to them or deleting from them any item or portion of an item, where the Governor in Council deems the amendment to be necessary in the public interest."
The Act serves as the implementing legislation for the Single Convention on Narcotic Drugs, the Convention on Psychotropic Substances, and the United Nations Convention Against Illicit Traffic in Narcotic Drugs and Psychotropic Substances.
Compound: Heptabarbital
SMILES: O=C1NC(=O)C(C2=CCCCCC2)(CC)C(N1)=O
InChIKey: PAZQYDJGLKSCSI-UHFFFAOYSA-N
Synonyms: Heptabarbital, Heptabarb, Heptabarbitone, Heptabarbum, 509-86-4, Heptabarbe, Heptabarbo, 5-(1-CYCLOHEPTEN-1-YL)-5-ETHYLBARBITURIC ACID, V10R70ML23, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-, 5-(cyclohept-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione, DTXSID10198927, eptabarbital, RefChem:145594, DTXCID70121418, 208-107-6, Heptadorm, Heptbarbital, Heptamal, Medapan, Medomine, Heptamalum, Medomin, Noctyn, Cycloheptenylethylmalonylurea, Cycloheptenylethylbarbituric acid, 5-Ethyl-5-cycloheptenylbarbituric acid, G 475, Heptabarb [INN], 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid, 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione, 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl-, Heptabarbe [INN-French], Heptabarbum [INN-Latin], Heptabarbo [INN-Spanish], Heptabarbital [INN], 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure, EINECS 208-107-6, UNII-V10R70ML23, HEPTABARBITAL [MI], HEPTABARB [WHO-DD], SCHEMBL713359, CHEMBL468837, orb2814152, CHEBI:81297, HY-A0232, DB01354, NS00009770, 5-(Cyclohepten-1-yl)-5-ethylbarbituric acid, C17725, Q410829
Theoretical properties:
molecular_formula: C13H18N2O3
molecular_weight: 250.29 g/mol
exact_mass: 250.13174244 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 18
topological_polar_surface_area: 75.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Heptabarbital is a member of barbiturates.
chembl: HEPTABARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Heptabarb (INN; Eudan, Medapan, Medomin, Noctyn), also known as heptabarbitone (BAN) or heptabarbital, is a sedative and hypnotic drug of the barbiturate family. It was used in Europe for the treatment of insomnia from the 1950s onwards, but has since been discontinued.
Compound: Spectrum2_000659
SMILES: O=C1O[C@H](CCCC(=O)CCCC=Cc2c1c(O)cc(O)c2)C
InChIKey: MBMQEIFVQACCCH-LBPRGKRZSA-N
Synonyms: Spectrum2_000659, Spectrum3_001981, SCHEMBL33755, SPBio_000697, cid_442549, BCBcMAP01_000203, BDBM32069, KBio3_002986, HMS2233L07, (11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione, 36455-70-6, SMP1_000322, (11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione, (11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-quinone
Theoretical properties:
molecular_formula: C18H22O5
molecular_weight: 318.4 g/mol
exact_mass: 318.14672380 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 0
heavy_atom_count: 23
topological_polar_surface_area: 83.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chebi: A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some <em>Giberella</em> species.
Compound: Thyronamine
SMILES: O(c1ccc(O)cc1)c2ccc(CCN)cc2
InChIKey: OVUVNKDANCKDCK-UHFFFAOYSA-N
Synonyms: Thyronamine, 500-78-7, Q94DH269XB, p-(p-(2-Aminoethyl)phenoxy)phenol, Phenol, 4-(4-(2-aminoethyl)phenoxy)-, DTXSID60198174, Phenol, 4-[4-(2-aminoethyl)phenoxy]-, RefChem:189893, DTXCID90120665, 4-[4-(2-aminoethyl)phenoxy]phenol, UNII-Q94DH269XB, CHEMBL201896, 4-(4-(2-AMINOETHYL)PHENOXY)PHENOL, TIRONAMINE, SCHEMBL449823, BDBM50181797, 4-(4-HYDROXYPHENOXY)PHENETHYLAMINE, PHENOL, P-(P-(2-AMINOETHYL)PHENOXY)-, Q419754
Theoretical properties:
molecular_formula: C14H15NO2
molecular_weight: 229.27 g/mol
exact_mass: 229.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 17
topological_polar_surface_area: 55.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: THYRONAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Thyronamine is a type of decarboxylated and deiodinated metabolite of the thyroid hormones thyroxine (T4) and 3,5,3'-triiodothyronine (T3). The word thyronamine can refer to either the family of molecules, or the specific molecule from which they are derived.
SMILES: O=C1/C(=C\2/N(N\C(\N2)=C\3/C(=O)C=CC=C3)c4ccc(C(=O)O)cc4)/C=CC=C1
InChIKey: FMSOAWSKCWYLBB-VBGLAJCLSA-N
Theoretical properties:
Physical properties:
Descriptions:
Compound: Propylamine
SMILES: NCCC
InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
Synonyms: Propylamine, Propan-1-amine, 107-10-8, 1-Propylamine, Propanamine, 1-AMINOPROPANE, Mono-n-propylamine, Monopropylamine, RCRA waste number U194, Propan-1-ylamine, NSC 7490, (n-Propan-1-yl)amine, HSDB 5162, EINECS 203-462-3, UNII-I76F18D635, AI3-26456, NSC-7490, I76F18D635, DTXSID6021878, FEMA NO. 4237, CHEBI:39870, EC 203-462-3, RefChem:6173, DTXCID001878, PROPYLAMINE (NORMAL) (N-PROPYLAMINE), 203-462-3, 1-Propanamine, n-Propyl Amine, MFCD00008205, 3-Aminopropane, n-C3H7NH2, C3H9N, propane, 1-amino-, propyl amine, 58479-39-3, 3CN, UN1277, RCRA waste no. U194, aminopropane, n-propyl-amine, 3-propylamine, N-n-propylamine, propane-1-amine, 2-methylethylamine, n-prop-1-ylamine, Propanamine, 9CI, Propylamine, 98%, PrNH2, Propylamine, >=99%, Propylamine [UN1277] [Flammable liquid], PROPYLAMINE [MI], 3-Aminopropyl Silica Gel, PROPYLAMINE [FHFI], NH2CH2CH2CH3, SCHEMBL9180, SCHEMBL9181, SCHEMBL16180, SCHEMBL16181, SCHEMBL27850, WLN: Z3, CHEMBL14409, SCHEMBL343259, SCHEMBL343260, SCHEMBL513537, 1-AMINOPROPANE [HSDB], SCHEMBL1177141, SCHEMBL1666440, SCHEMBL1737009, SCHEMBL3363825, SCHEMBL3827505, SCHEMBL4596107, SCHEMBL5026915, SCHEMBL5419250, SCHEMBL5831324, SCHEMBL8009762, SCHEMBL9452452, Propylamine, analytical standard, NSC7490, STR01427, MSK002126, STL185558, AKOS000120278, EBC-627242, FP63337, MSK002126-100M, UN 1277, Propylamine, purum, >=99.0% (GC), BP-14012, DB-002025, A2140, NS00002355, P0520, Propylamine [UN1277]  [Flammable liquid], Propylamine Solution in Methanol, 100ug/mL, EN300-20505, InChI=1/C3H9N/c1-2-3-4/h2-4H2,1H, Polyallylamine HydrochlorideR&D Working Standard, Q417852, F2190-0357
Theoretical properties:
molecular_formula: C3H9N
molecular_weight: 59.11 g/mol
exact_mass: 59.073499291 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 4
topological_polar_surface_area: 26 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Strong ammonia odor
boiling_point: 119.5 °F at 760 mmHg (USCG, 1999)
melting_point: -117.4 °F (USCG, 1999)
density: 0.7182 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Very soluble in ethanol, acetone; soluble in benzene, chloroform; slightly soluble in carbon tetrachloride
flash_point: -35 °F (USCG, 1999)
vapor_pressure: 310.0 [mmHg]
Descriptions:
pubchem: Propylamine is a member of the class of alkylamines that is propane substituted by an amino group at C-1. It is a conjugate base of a propan-1-aminium.
chebi: A member of the class of  alkylamines that is propane substituted by an amino group at C-1.
chembl: PROPYLAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Propylamine, also known as n-propylamine, is an amine with the chemical formula CH3(CH2)2NH2.  It is a colorless volatile liquid.
Propylamine is a weak base.  Its Kb (base dissociation constant) is 4.7 × 10−4.
Compound: N-PHENYLHYDROXYLAMINE
SMILES: ONc1ccccc1
InChIKey: CKRZKMFTZCFYGB-UHFFFAOYSA-N
Synonyms: N-PHENYLHYDROXYLAMINE, 100-65-2, Phenylhydroxylamine, N-Hydroxyaniline, N-Hydroxybenzenamine, Phenylhydroxyamine, Hydroxylaminobenzene, Aniline, N-hydroxy-, Hydroxylamine, N-phenyl-, NCI-C60093, Benzene, hydroxylamino-, (Hydroxyamino)benzene, beta-Phenylhydroxylamine, DTXSID3025889, 282MU82Z9A, NSC-223099, DTXCID105889, CHEBI:28902, RefChem:164115, 202-875-6, Benzenamine, N-hydroxy-, N-hydroxylaniline, HYDROXYAMINOBENZENE, N-Phenyl-hydroxylamine, .beta.-Phenylhydroxylamine, NSC 223099, MFCD00045718, CHEMBL320474, NSC223099, CCRIS 5062, HSDB 2884, EINECS 202-875-6, BRN 0507174, UNII-282MU82Z9A, phenylhydroxylamin, phenyl hydroxyamine, phenyl hydroxylamine, NBE, N-phenyl-hydroxyamine, N-phenyl hydroxylamine, N-hydroxylamino-benzene, WLN: QMR, SCHEMBL98310, 4-15-00-00004 (Beilstein Handbook Reference), SCHEMBL388958, SCHEMBL632784, PHENYLHYDROXYLAMINE, N-, SCHEMBL1411653, SCHEMBL1411655, SCHEMBL3176067, PHENYLHYDROXYLAMINE [MI], CKRZKMFTZCFYGB-UHFFFAOYSA-, N-PHENYLHYDROXYLAMINE [HSDB], Tox21_202727, BDBM50082143, AKOS006239323, N-Hydroxyaniline, N-Hydroxybenzenamine, CS-W007515, EBC-610983, FP44810, N-Phenylhydroxylamine, >=97.0% (GC), NCGC00260275-01, CAS-100-65-2, CS-17324, DA-19654, NS00004199, C02720, F336638, Q3048694, InChI=1/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
Theoretical properties:
molecular_formula: C6H7NO
molecular_weight: 109.13 g/mol
exact_mass: 109.052763847 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 8
topological_polar_surface_area: 32.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: NEEDLES FROM SATURATED SODIUM CHLORIDE SOLN
color: NEEDLES FROM SATURATED SODIUM CHLORIDE SOLN
melting_point: 181 to 183 °F (NTP, 1992)
solubility: Soluble in hot water (NTP, 1992)
vapor_pressure: 0.00795 [mmHg]
Descriptions:
pubchem: N-phenylhydroxylamine is an N-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent.
chebi: An  <em>N</em>-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: N-Phenylhydroxylamine is the organic compound with the formula C6H5NHOH.  It is an intermediate in the redox-related pair C6H5NH2 and C6H5NO. N-Phenylhydroxylamine should not be confused with its isomer α-phenylhydroxylamine or O-phenylhydroxylamine.
Compound: CUPFERRON
SMILES: O=NN([O-])c1ccccc1.[NH4+]
InChIKey: GDEBSAWXIHEMNF-UHFFFAOYSA-O
Synonyms: CUPFERRON, 135-20-6, Cupferon, Kupferon, Ammonium cupferron, Ammonium-N-nitrosophenylhydroxylamine, Cupferron, ammonium salt, N-Nitroso-N-phenylhydroxylamine ammonium salt, DTXCID90352, N-Nitrosofenylhydroxylamin amonny, NCI-C03258, Ammonium N-nitrosophenylhydroxylamine, NSC-112124, Ammonium nitroso-beta-phenylhydroxylamine, N-Nitrosophenylhydroxylamin ammonium salz, N-Nitroso-N-phenylhydroxyamine ammonium salt, N-Hydroxy-N-nitroso-benzenamine, ammonium salt, Hydroxylamine, N-nitroso-N-phenyl-, ammonium salt, RefChem:579547, Benzenamine, N-hydroxy-N-nitroso-, ammonium salt, Ammonium N-hydroxy-N-nitrosobenzenamine, azane; N-hydroxy-N-phenylnitrous amide, 205-183-2, DTXSID1020352, hydrogen cupferron, Inhibitor NPH, Kupferron, N-Nitrosophenylhydroxylamine ammonium salt, NSC112124, NSC4245, NSC7912, V66QK963ED, DB-042276, NS00041902, Q3007584
Theoretical properties:
molecular_formula: C6H9N3O2
molecular_weight: 155.15 g/mol
exact_mass: 155.069476538 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 56.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 2
Physical properties:
physical_state: Crystals
color: Crystals
melting_point: 325 to 327 °F (NTP, 1992)
solubility: less than 1 mg/mL at 65.3 °F (NTP, 1992)
vapor_pressure: Negligible (NTP, 1992)
Descriptions:
pubchem: Cupferron can cause cancer according to an independent committee of scientific and health experts.
wikipedia: Cupferron is jargon for the ammonium salt of the conjugate base derived from N-nitroso-N-phenylhydroxylamine. This conjugate base is abbreviated as CU−. It once was a common reagent for the complexation of metal ions, being of interest in the area of qualitative inorganic analysis. Its formula is NH4[C6H5N(O)NO]. The anion binds to metal cations through the two oxygen atoms, forming five-membered chelate rings.
Compound: 62653-26-3
SMILES: O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChIKey: PECGVEGMRUZOML-UHFFFAOYSA-N
Synonyms: 62653-26-3, JZ0RRY1Q3S, 3,3-Diphenylalanine, RefChem:910559, 2-amino-3,3-diphenylpropanoic acid, 2-AMINO-3,3-DIPHENYL-PROPIONIC ACID, 3,3-DIPHENYL-DL-ALANINE, H-DL-Dip-OH, DL-3,3-Diphenylalanine, 2-amino-3,3-diphenylpropionic acid, MFCD02259531, H-beta,beta-Diphenyl-DL-Ala-OH, NSC-13903, 5425-80-9, DL-DIPHENYLALANINE, 2-Amino-3,3-diphenylpropanoicacid, (S)-2-Amino-3,3-diphenylpropionic acid, NSC13903, UNII-JZ0RRY1Q3S, |A-Phenyl-D-phenylalanine, |A-Phenyl-L-phenylalanine, H-,-Diphenyl-DL-Ala-OH, Phenylalanine, beta-phenyl-, SCHEMBL43670, PECGVEGMRUZOML-UHFFFAOYSA-N, 2-amino-3,3-diphenyl-propanoic acid, .BETA.-PHENYL-DL-PHENYLALANINE, AKOS016010537, (R)-2-Amino-3,3-diphenylpropionic acid, AS-36012, DL-PHENYLALANINE, .BETA.-PHENYL-, PD196521, EN300-1865400, Q5279738
Theoretical properties:
molecular_formula: C15H15NO2
molecular_weight: 241.28 g/mol
exact_mass: 241.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 18
topological_polar_surface_area: 63.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Just Before Dawn is a 1981 American slasher film directed by Jeff Lieberman and starring Chris Lemmon, Gregg Henry, Deborah Benson, Ralph Seymour, Jamie Rose, and George Kennedy. The film follows a group of hikers who travel into a mountainous region of Oregon to visit property inherited by one of them, only to be hunted by a ruthless backwoods killer.
Inspired by Deliverance (1972), Lieberman rewrote an original screenplay by Mark Arywitz and Jonas Middleton, which was originally set in Tennessee and featured prominent religious themes. Principal photography began in July 1980 at Silver Falls State Park in Silverton, Oregon. The original musical score was one of the earlier works of Brad Fiedel, who went on to compose the scores for such films as The Terminator (1984) and Fright Night (1985).
Just Before Dawn was distributed in the United States by the independent company Picturmedia, who released it theatrically on November 27, 1981. The film was not a commercial success and received mixed reviews, with many highlighting its elegant cinematography, and others criticizing the film for its derivative elements. The film has been noted by film scholars for expanding on tropes found in horror films such as The Texas Chain Saw Massacre (1974) and The Hills Have Eyes (1977), though Lieberman has emphatically stated he had seen neither film, and his intentions were to make a thriller with elements of an art film.
Compound: SCHEMBL93387
SMILES: O=C(O)C(N(c1ccccc1)c2ccccc2)C
InChIKey: SAUDSWFPPKSVMK-UHFFFAOYSA-N
Synonyms: SCHEMBL93387
Theoretical properties:
molecular_formula: C15H15NO2
molecular_weight: 241.28 g/mol
exact_mass: 241.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 18
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
SMILES: O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C\NC(=O)N)=O)CNC(=O)C[C@@H](N)CCCN)=O)CO)[C@@H]2NC(=NCC2)N.O=C/1N[C@H](C(=O)NC[C@H](N)C(=O)N[C@H](C(N[C@H](C(N\C1=C\NC(=O)N)=O)CNC(=O)C[C@@H](N)CCCN)=O)C)[C@@H]2NC(=NCC2)N
InChIKey: VCOPTHOUUNAYKQ-WBTCAYNUSA-N
Theoretical properties:
Physical properties:
Descriptions: