JAZL/ChemGist-CHON huggingface dataset:
Compound: METHYLHYDRAZINE
SMILES: N(N)C
InChIKey: HDZGCSFEDULWCS-UHFFFAOYSA-N
Synonyms: METHYLHYDRAZINE, 60-34-4, Hydrazine, methyl-, Methyl Hydrazine, Monomethylhydrazine, 1-Methylhydrazine, Methyl-hydrazine, Metylohydrazyna, RCRA waste number P068, DTXSID4020874, UWA30B5Z1J, RefChem:818623, DTXCID40874, 200-471-4, 2-methylhydrazine, MMH, CH3NHNH2, CHEMBL160520, Monomethyl Hydrazine, Methylhydrazine (mono), Metylohydrazyna [Polish], 20244-39-7, CCRIS 394, HSDB 1172, EINECS 200-471-4, UN1244, RCRA waste no. P068, UNII-UWA30B5Z1J, BRN 0635645, methl hydrazine, AI3-52240, N-methyhydrazine, N-methyl hydrazine, N-methyl-hydrazine, 2-methyl hydrazine, MeNHNH2, Methylhydrazine, 98%, H2NNHCH3, EC 200-471-4, SCHEMBL3103, METHYLHYDRAZINE [MI], SCHEMBL92678, METHYLHYDRAZINE [HSDB], SCHEMBL192490, SCHEMBL192491, SCHEMBL300701, SCHEMBL381363, SCHEMBL1478865, SCHEMBL2820082, SCHEMBL7535215, SCHEMBL8899218, SCHEMBL9397502, SCHEMBL31272177, BBL011339, BDBM50049259, STL146429, AKOS005720746, Methylhydrazine [UN1244]  [Poison], UN 1244, BP-11387, BP-30186, Methylhydrazine, purum, >=98.0% (GC), M0558, NS00002460, InChI=1/CH6N2/c1-3-2/h3H,2H2,1H, Q417347, HDN
Theoretical properties:
molecular_formula: CH6N2
molecular_weight: 46.072 g/mol
exact_mass: 46.053098200 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 38.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear liquid
color: Clear liquid
odor: Odor characteristic of short chain, organic amines
boiling_point: 190 °F at 760 mmHg (EPA, 1998)
melting_point: -62.3 °F (EPA, 1998)
density: 0.874 at 77 °F (EPA, 1998) - Less dense than water; will float
solubility: Insoluble (<1 mg/ml at 75 °F) (NTP, 1992)
flash_point: 158 °F (EPA, 1998)
vapor_pressure: 49.6 mmHg at 77 °F (EPA, 1998)
Descriptions:
pubchem: Methylhydrazine and its salts can cause cancer according to The National Institute for Occupational Safety and Health (NIOSH).
chembl: METHYLHYDRAZINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methylhydrazines are hydrazines that have additional methyl groups. Heavily methylated versions exist as hydrazinium salts.
Members of this class include: 

Monomethylhydrazine
Monomethylhydrazinium (cationic and exists as a variety of salts)
Dimethylhydrazines
Symmetrical dimethylhydrazine (1,2-dimethylhydrazine)
Unsymmetrical dimethylhydrazine (1,1-dimethylhydrazine)
Trimethylhydrazine
1,1,2-trimethylhydrazine
1,1,1-trimethylhydrazinium (cationic and exists as a variety of salts e.g. 1,1,1-trimethylhydrazinium iodide)
Tetramethylhydrazine
1,1,2,2-tetramethylhydrazine
1,1,1,2-tetramethylhydrazinium (cationic and exists as a variety of salts)
Pentamethylhydrazinium (cationic and exists as a variety of salts)
Hexamethylhydrazinediium (dication, exists as a variety of salts)
Compound: Monomethylpropion
SMILES: O=C(c1ccccc1)C(NC)C
InChIKey: LPLLVINFLBSFRP-UHFFFAOYSA-N
Synonyms: Monomethylpropion, 2-(Methylamino)-1-phenyl-1-propanone, RefChem:811716, Methcathinone, Ephedrone, 5650-44-2, 2-(Methylamino)-1-phenylpropan-1-one, cosmos, 2-(Methylamino)propiophenone, 1-PROPANONE, 2-(METHYLAMINO)-1-PHENYL-, alpha-Methylaminopropiophenone, alpha-N-Methylaminopropiophenone, (+/-)-Methcathinone, 2-Methylamino-1-phenylpropanone, 386QA522QG, 1-phenyl-2-methylamino-1-propanone, 2-methylamino-1-phenylpropan-1-one, Jee cocktail, R(+)-Methcathinone, Methylcathinone, UNII-386QA522QG, alpha-(Methylamino)propiophenone, N-Methylcathinone, DTXSID30863589, EINECS 227-092-7, Methcathinone, (-), Methacathinone (+-), methylaminopropiophenone, J31.084K, 1-PHENYL-1-OXO-2-METHYLAMINOPROPANE, METHCATHINONE [MI], DivK1c_000966, SCHEMBL497486, SCHEMBL6505375, .alpha.-Methylaminopropiophenone, DEA No. 1237, CHEMBL4070364, BDBM86285, KBio1_000966, CHEBI:149677, NINDS_000966, CAS_1576, NSC_1576, AL-422, AL-463, AL-464, AKOS015960612, DB15339, UR 1432, UR-1431, IDI1_000966, 2-(Methylamino)-1-phenyl-1-propanone #, NS00000167, C22783, Q420643
Theoretical properties:
molecular_formula: C10H13NO
molecular_weight: 163.22 g/mol
exact_mass: 163.099714038 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 29.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2-methylamino-1-phenylpropan-1-one is an aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group. It is a secondary amino compound and an aromatic ketone.
chebi: An aromatic ketone that is propiophenone in which the hydrogen α- to the keto group has been replaced by a methylamino group.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: This is the list of Schedule I controlled substances in the United States as defined by the Controlled Substances Act. The following findings are required for substances to be placed in this schedule:

The drug or other substance has a high potential for abuse.
The drug or other substance has no current accepted medical use in treatment in the United States.
There is a lack of accepted safety for use of the drug or other substance under medical supervision.
The complete list of Schedule I substances is as follows. The Administrative Controlled Substances Code Number for each substance is included.
SMILES: Oc1ccc(/C(=C(/c2ccc(O)cc2)\CC)/CC)cc1
InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: An olefinic compound that is <i>trans</i>-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by <em>p</em>-hydroxyphenyl groups.
chembl: DIETHYLSTILBESTROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
SMILES: O=C(O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIKey: DPUOLQHDNGRHBS-KTKRTIGZSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A docosenoic acid having a <i>cis</i>- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers.
chembl: ERUCIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
SMILES: O1CC1
InChIKey: IAYPIBMASNFSPL-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A  saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.
chembl: OXIRANE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
SMILES: N#CC=C
InChIKey: NLHHRLWOUZZQLW-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group.
chembl: ACRYLONITRILE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
SMILES: n1c2c(ccc1)cccc2
InChIKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: The simplest member of the quinoline class of compounds, comprising a benzene ring <em>ortho</em> fused to C-2 and C-3 of a pyridine ring.
chembl: QUINOLINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
Compound: hydroxylamine
SMILES: ON
InChIKey: AVXURJPOCDRRFD-UHFFFAOYSA-N
Synonyms: hydroxylamine, 7803-49-8, Oxammonium, NH2OH, azinous acid, 2FP81O2L9Z, DTXSID7041043, CHEBI:15429, RefChem:5894, DTXCID5021043, 232-259-2, Nitroxide, HYDROXYAMINE, Oxyammonia, dihydridohydroxidonitrogen, MFCD00044522, 11104-93-1, Hydroxylamine, 50 wt. % solution in water, oxidoazanium, HSDB 579, Hydroxylamine Solution (50 wt. % in H2O), H3NO, EINECS 232-259-2, arninoalcohol, hyroxylamine, UNII-2FP81O2L9Z, Hydroxylamin, amino alcohol, amino-alcohol, hydroxy amine, hydroxyl amine, hydroxyl-amine, N-hydroxyamine, amine N-oxide, (1) hydroxylamine, H2NHO, H2NOH, HONH2, Lopac-H-9876, HYDROXYLAMINE [MI], H2N-OH, EC 232-259-2, SCHEMBL1248, SCHEMBL1734, HYDROXYLAMINE [HSDB], Lopac0_000637, SCHEMBL21637, SCHEMBL22521, SCHEMBL23151, SCHEMBL94276, [NH2OH], SCHEMBL155688, SCHEMBL215299, N H2 O H, orb1685344, SCHEMBL2546097, CHEMBL1191361, BDBM50082140, AKOS009031565, CCG-204724, SDCCGSBI-0050617.P002, MRF-0000034, NCGC00015527-01, NCGC00015527-02, NCGC00015527-03, NCGC00015527-05, NCGC00162208-01, 11129-69-4, 13408-29-2, DB-080981, Hydroxylamine Solution(50 wt. % in H2O), NS00009755, C00192, F069272, Q259997, Q27110260, Q27110261, 2FFDCFE4-66E9-4869-8F4D-DC8E410797E7, Hydroxylamine hydrochloride in combination with isoniazid and rifampicin
Theoretical properties:
Physical properties:
Descriptions:
chebi: The simplest hydroxylamine, consisting of ammonia bearing a hydroxy substituent. It is an intermediate in the biological nitrification by microbes like bacteria.
chembl: HYDROXYAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hydroxylamine (also known as hydroxyammonia) is an inorganic compound with the chemical formula NH2OH. The compound exists as hygroscopic colorless crystals. Hydroxylamine is almost always provided and used as either an aqueous solution or, more often, as one of its salts, such as hydroxylammonium sulfate, a water-soluble solid.
Hydroxylamine and its salts are consumed almost exclusively to produce Nylon-6. The oxidation of NH3 to hydroxylamine is a step in biological nitrification.
SMILES: O=[N+]([O-])c1n(c(C)nc1)CCO
InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.
chembl: METRONIDAZOLE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
SMILES: O1c2c(cc(CCC)c(c2)COCCOCCOCCCC)OC1
InChIKey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: PIPERONYL BUTOXIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
SMILES: O[C@H]1[C@H](C(C)C)CC[C@H](C1)C
InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A <em>p</em>-menthan-3-ol which has (1<i>R</i>,2<i>S</i>,5<i>R</i>)-stereochemistry. It is the most common naturally occurring enantiomer.
chembl: LEVOMENTHOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
SMILES: O=C1[C@@H]2Oc3c(O)ccc4c3[C@]25[C@H]([C@H](N(C)CC5)C4)CC1
InChIKey: WVLOADHCBXTIJK-YNHQPCIGSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A  morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.
chembl: HYDROMORPHONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
SMILES: O=C(c1c(O)cc(O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O[C@@H]3O[C@H]([C@H](O)[C@H]([C@H]3O)O)C)O)CO)cc1O)CCc4cc(O)c(OC)cc4
InChIKey: ITVGXXMINPYUHD-CUVHLRMHSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A member of the  dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange.
chembl: NEOHESPERIDIN DIHYDROCHALCONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
SMILES: O=C(/C=C/c1cc(OC)c(O)cc1)CC(=O)/C=C/c2cc(OC)c(O)cc2
InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A β-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of <em>Curcuma longa</em>.
chembl: CURCUMIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
SMILES: O=C(O)CN(C(=N)N)C
InChIKey: CVSVTCORWBXHQV-UHFFFAOYSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A glycine derivative having methyl and amidino groups attached to the nitrogen.
chembl: CREATINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
SMILES: Oc1cc(O)cc(c1)/C=C/c2ccc(O)cc2
InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A resveratrol in which the double bond has <i>E</i> configuration.
chembl: RESVERATROL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
Compound: Tetrahydrogestrinone
SMILES: O=C1C=C2C(=C3C=C[C@@]4([C@](O)(CC)CC[C@H]4[C@@H]3CC2)CC)CC1
InChIKey: OXHNQTSIKGHVBH-ANULTFPQSA-N
Synonyms: Tetrahydrogestrinone, 618903-56-3, 643MR6L9LB, DTXSID60210901, (10S,11S,14S,15S)-14,15-diethyl-14-hydroxytetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-1,6,16-trien-5-one, (10S,11S,14S,15S)-14,15-diethyl-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6,16-trien-5-one, RefChem:188677, DTXCID50133392, 18,19-dinorpregna-4,9,11-trien-3-one, 13-ethyl-17-hydroxy-, (17alpha)-, (17ALPHA)-13-ETHYL-17-HYDROXY-18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE, 111-759-3, (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, CHEMBL1229684, Tetrahydrogestrinone (>90%), UNII-643MR6L9LB, Tetrahydrogestrinone 90%, Tetrahydrogestrinone (THG), BIDD:ER0580, SCHEMBL4434724, TETRAHYDROGESTRINONE [MI], CHEBI:190313, OXHNQTSIKGHVBH-ANULTFPQSA-N, BDBM50594907, 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE, AKOS030242734, DB06870, NS00067977, Q416940, Tetrahydrogestrinone 90% (1.0mg/ml in Acetonitrile), (17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-3-one, (17.ALPHA.)-13-ETHYL-17-HYDROXY-18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE, 13.BETA.,17.ALPHA.-DIETHYL-17.BETA.-HYDROXYGON-4,9,11-TRIEN-3-ONE, 18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE, 13-ETHYL-17-HYDROXY-, (17.ALPHA.)-, (1S,3aS,3bS,11aS)-1,11a-Diethyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,11a-decahydro-7H-cyclopenta[a]phenanthren-7-one, (8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
Theoretical properties:
molecular_formula: C21H28O2
molecular_weight: 312.4 g/mol
exact_mass: 312.208930132 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 23
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tetrahydrogestrinone is a 3-hydroxy steroid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tetrahydrogestrinone (THG), known by the nickname The Clear, is a synthetic and orally active anabolic–androgenic steroid (AAS) which was never marketed for medical use. It was developed by Patrick Arnold and was used by a number of high-profile athletes such as Barry Bonds and Dwain Chambers.
Compound: N,N-Dipropyltryptamine
SMILES: N(CCc1c2c(cccc2)[nH]c1)(CCC)CCC
InChIKey: BOOQTIHIKDDPRW-UHFFFAOYSA-N
Synonyms: N,N-Dipropyltryptamine, 61-52-9, Dipropyltryptamine, 1H-Indole-3-ethanamine, N,N-dipropyl-, S7272VWU50, DTXSID30209847, RefChem:134860, DTXCID80132338, N-(2-(1H-indol-3-yl)ethyl)-N-propylpropan-1-amine, N-[2-(1H-indol-3-yl)ethyl]-N-propylpropan-1-amine, N-[2-(1H-indol-3-yl)ethyl]-N-propyl-propan-1-amine, INDOLE, 3-(2-(DIPROPYLAMINO)ETHYL)-, 3-(2-(Dipropylamino)ethyl)indole, NCGC00247727-01, DPT [Experimental Drug], BRN 0173122, UNII-S7272VWU50, 4-22-00-04323 (Beilstein Handbook Reference), SCHEMBL1118996, CHEMBL1779153, BOOQTIHIKDDPRW-UHFFFAOYSA-N, BDBM707613, indole, 3-(2-dipropylaminoethyl)-, MFCD01718836, AKOS015967123, MB02028, DB-023078, NS00017419, C16086, Q2723010
Theoretical properties:
molecular_formula: C16H24N2
molecular_weight: 244.37 g/mol
exact_mass: 244.193948774 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 7
heavy_atom_count: 18
topological_polar_surface_area: 19 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dipropyltryptamine (DPT), also known as N,N-dipropyltryptamine or as "The Light", is a psychedelic drug of the tryptamine family related to dimethyltryptamine (DMT). It is taken orally or by other routes.
The drug acts as a serotonin receptor modulator, including as a serotonin 5-HT2A receptor agonist. It is a close structural homologue of DMT and diethyltryptamine (DET). Derivatives of DPT include 4-HO-DPT and 5-MeO-DPT, among others.
DPT was first described in the literature by 1954. It was encountered as a novel designer drug by 1968 and was reported as a possible treatment for alcoholism in 1973. The drug is the sacrament of the Temple of the True Inner Light, a New York City-based religious group.
Compound: CYANOGEN
SMILES: N#CC#N
InChIKey: JMANVNJQNLATNU-UHFFFAOYSA-N
Synonyms: CYANOGEN, Oxalonitrile, Ethanedinitrile, Dicyanogen, Carbon nitride, Nitriloacetonitrile, Oxalic acid dinitrile, Oxalyl cyanide, Prussite, 460-19-5, Cyanogen (C2N2), Cyanogene, Carbon nitride (C2N2), Oxalic nitrile, NCCN, RCRA waste number P031, C2N2, Cyanogen gas, bis(nitridocarbon)(C--C), 534Q0F66RK, DTXSID1023992, CHEBI:29308, carbononitridic cyanide, RefChem:580152, DTXCID603992, bis(nitridocarbon)(C--C);ethanedinitrile, 207-306-5, Carbon mononitride, Monocyanogen, Dicyan, (CN)2, Cyanogene [French], HSDB 2130, EINECS 207-306-5, UN1026, RCRA waste no. P031, UNII-534Q0F66RK, CYANOGEN [HSDB], CYANOGEN [MI], EC 207-306-5, SCHEMBL9547, N C C N, Cyanogen [UN1026]  [Poison gas], UN 1026, NS00043588, Q421724
Theoretical properties:
molecular_formula: C2N2
molecular_weight: 52.03 g/mol
exact_mass: 52.006148008 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 4
topological_polar_surface_area: 47.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless gas; burns with purple tinged flame
color: Colorless gas; burns with purple tinged flame
odor: Almond-like odor, which is acrid and pungent in lethal concentrations
boiling_point: -6.1 °F at 760 mmHg (USCG, 1999)
melting_point: -18.2 °F (USCG, 1999)
density: 0.954 at -5.8 °F (USCG, 1999) - Less dense than water; will float
solubility: 1 % (NIOSH, 2024)
flash_point: Flammable gas
vapor_pressure: 5.1 atm at 70 °F (NIOSH, 2024)
Descriptions:
pubchem: Oxalonitrile is a dinitrile that is ethane substituted by two cyano groups. It is a pseudohalogen and a dinitrile.
chebi: A dinitrile that is ethane substituted by two cyano groups.
wikipedia: Cyanogen is the chemical compound with the formula (CN)2. Its structure is N≡C−C≡N. The simplest stable carbon nitride, it is a colorless and highly toxic gas with a pungent odor. The molecule is a pseudohalogen. Cyanogen molecules are linear, and consist of two CN groups ‒ analogous to diatomic halogen molecules, such as Cl2, but far less oxidizing. The two cyano groups are bonded together at their carbon atoms, though other isomers have been detected. The name is also used for the CN radical, and hence is used for compounds such as cyanogen bromide (Br−C≡N) (but see also Cyano radical). When burned at increased pressure with oxygen, it is possible to get a blue tinted flame, the temperature of which is about 4,800 °C (8,670 °F) (a higher temperature is possible with ozone). It is as such regarded as the gas with the second highest temperature of burning (after dicyanoacetylene).
Cyanogen is the anhydride of oxamide:

H2N−C(=O)−C(=O)−NH2 → N≡C−C≡N + 2 H2O
Oxamide is manufactured from cyanogen by hydration:

N≡C−C≡N + 2 H2O → H2N−C(=O)−C(=O)−NH2
Compound: NITROUS ACID
SMILES: O=NO
InChIKey: IOVCWXUNBOPUCH-UHFFFAOYSA-N
Synonyms: NITROUS ACID, Nitrosyl hydroxide, 7782-77-6, HNO2, Kyselina dusite, dioxonitric acid, hydroxidooxidonitrogen, Acid, Nitrous, T2I5UM75DN, CHEBI:25567, hydrogen dioxonitrate(1-), DTXSID7064813, (NO(OH)), [NO(OH)], RefChem:6071, DTXCID4048014, 231-963-7, HONO, Kyselina dusite [Czech], EINECS 231-963-7, UNII-T2I5UM75DN, HSDB 7801, Nitrogen dioxide ion, Nitrous acid, trans, Nitrogen peroxide ion, NITROUS ACID [MI], SCHEMBL1057, SCHEMBL9214, SCHEMBL9215, SCHEMBL809291, CHEMBL1161681, BLNWTAHYTCHDJH-UHFFFAOYSA-N, BDBM50147619, DB09112, DB-255799, NS00076377, C00088, Q207895, Q211891
Theoretical properties:
molecular_formula: HNO2
molecular_weight: 47.014 g/mol
exact_mass: 47.000728275 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 49.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 820g/L
Descriptions:
pubchem: Nitrous acid is a nitrogen oxoacid. It is a conjugate acid of a nitrite.
chembl: NITROUS ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Nitrous acid (molecular formula HNO2) is a weak and monoprotic acid known only in solution, in the gas phase, and in the form of nitrite (NO−2) salts. It was discovered by Carl Wilhelm Scheele, who called it "phlogisticated acid of niter". Nitrous acid is used to make diazonium salts from amines. The resulting diazonium salts are reagents in azo coupling reactions to give azo dyes.
Compound: nitrite
SMILES: O=N[O-]
InChIKey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
Synonyms: nitrite, Nitrite Ion, 14797-65-0, Nitrite anion, Nitrites, Nitrous acid, ion(1-), Nitrite (NO2-), Nitrite(1-), Nitrite ion (NO2-), Nitrogen dioxide ion(1-), Nitrogen peroxide ion(1-), DTXSID5024219, J39976L608, CHEBI:16301, RefChem:55716, DTXCID704219, NO2-, MFCD00144923, Water Supply QC Check Sample: Nitrite, Nitrite as N @ 1000 microg/mL in H2O, Nitrite Standard: NO2- @ 1000 microg/mL in H2O, Nitrite Standard: NO2- @ 10000 microg/mL in H2O, Nitrit, Nitrite Standard, dioxonitrate(1-), dioxonitrate(III), UNII-J39976L608, dioxidonitrate(1-), ONO-, CHEMBL1361, BDBM26989, NO2(-), DB12529, NCGC00090737-03, NCGC00090737-04, [NO2](-), Nitrite as N @ 10000 microg/mL in H2O, NS00114193, AB01566909_01, Q213788, Ion Chromatography Anion Std Nitrite 1mg/mL (1000 ppm)
Theoretical properties:
molecular_formula: NO2-
molecular_weight: 46.006 g/mol
exact_mass: 45.992903243 g/mol
formal_charge: -1
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 3
topological_polar_surface_area: 52.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Nitrite is the nitrogen oxoanion formed by loss of a proton from nitrous acid. It has a role as a human metabolite. It is a nitrogen oxoanion, a member of reactive nitrogen species and a monovalent inorganic anion. It is a conjugate base of a nitrous acid.
chebi: The nitrogen oxoanion formed by loss of a proton from nitrous acid.
wikipedia: The nitrite ion has the chemical formula NO−2. Nitrite (mostly sodium nitrite) is widely used throughout chemical and pharmaceutical industries. The nitrite anion is a pervasive intermediate in the nitrogen cycle in nature. The name nitrite also refers to organic compounds having the –ONO group, which are esters of nitrous acid.