Compound: N-NITROSODIMETHYLAMINE
SMILES: O=NN(C)C
InChIKey: UMFJAHHVKNCGLG-UHFFFAOYSA-N
Synonyms: N-NITROSODIMETHYLAMINE, 62-75-9, Dimethylnitrosamine, NDMA, N,N-dimethylnitrous amide, N-Methyl-N-nitrosomethanamine, Dimethylnitrosoamine, Nitrosodimethylamine, N,N-Dimethylnitrosamine, DMNA, Methanamine, N-methyl-N-nitroso-, Dimethylnitrosamin, dimethyl(nitroso)amine, N-Nitroso-N,N-dimethylamine, Dimethylamine, N-nitroso-, N-Nitroaodimethylamine, N-Dimethyl-nitrosamine, nitrous dimethylamide, RCRA waste number P082, N-methyl-N-nitroso-methanamine, N Nitrosodimethylamine, DTXSID7021029, NDMA Nitrosodimethylamine, Nitrosodimethylamine, NDMA, 1,1-Dimethyl-2-oxohydrazine, M43H21IO8R, NSC-23226, DTXCID301029, CHEBI:35807, NSC23226, RefChem:6050, 200-549-8, DMN, n-nitroso-dimethylamine, NSC 23226, Dimethylnitrosamin [German], (CH3)2NNO, MLS001065602, SMR000568479, Dimethylnitrosamin (german), Nitrosamine, dimethyl-, CAS-62-75-9, CCRIS 261, Methanamine,N-methyl-N-nitroso-, N-Nitrosodimethylamine (10 mg/mL in Ethanol), N-Nitrosodimethylamine 0.2 mg/ml in Methanol, HSDB 1667, N-Nitrosodimethylamine (100 ?g/mL in Methanol), N-Nitrosodimethylamine (5.0 mg/mL in Methanol), N-nitrosodimethylamine 1000 microg/mL in Methanol, EINECS 200-549-8, RCRA waste no. P082, BRN 1738979, UNII-M43H21IO8R, N-Nitrosodimethylamine (NDMA), AI3-25308, N-nitrosodimethylamine 1000 microg/mL in Methanol, Second Source, Methamine, N-methyl-N-nitroso-, dimethyl-nitrosamine, N-dimethylnitrosoamine, N, N-Dimethylnitrosamine, NMDA (GENOTOXIC), SCHEMBL686, N,N-dimethyl nitrous amide, N,N-dimethyl-nitrous amide, cid_6124, N-nitroso-dimethylamine CRS, N, N-dimethyl nitrous amide, N-Methyl-N-nitroso-Methamine, BIDD:ER0584, WLN: ONN1&1, CHEMBL117311, orb3025643, SCHEMBL12694706, Valsartan Gene toxin Impurity 1, 1,1-Dimethyl-2-oxohydrazine #, BDBM73982, N-NITROSODIMETHYLAMINE [MI], AAA06275, N-Methyl-N-nitrosomethanamine, 9CI, Tox21_201663, Tox21_302873, EBC-53057, MSK4920-100M, N-NITROSODIMETHYLAMINE [HSDB], N-NITROSODIMETHYLAMINE [IARC], AKOS016000499, MSK4920-1000M, N-NITROSODIMETHYLAMINE [USP-RS], NCGC00091431-01, NCGC00091431-02, NCGC00091431-03, NCGC00256498-01, NCGC00259212-01, DA-56224, N-Nitrosodimethylamine, analytical standard, D0761, NS00000636, N-Nitrosodimethylamine (5 mg/mL in Methanol), EN300-7438053, N-Nitroso-dimethylamine 10 microg/mL in Methanol, N-Nitroso-dimethylamine 100 microg/mL in Methanol, Q409367, N-Nitrosodimethylamine 1000 microg/mL in Dichloromethane, N-Nitrosodimethylamine Solution in Methanol, 100_g/mL, N-Nitrosodimethylamine Solution in Methanol, 1000_g/mL, Z1255485177, N-Nitrosodimethylamine (NDMA) 5000 microg/mL in Methanol
Theoretical properties:
molecular_formula: C2H6N2O
molecular_weight: 74.08 g/mol
exact_mass: 74.048012819 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 5
topological_polar_surface_area: 32.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow, oily liquid
color: Yellow, oily liquid
odor: Faint, characteristic odor
boiling_point: 304 to 307 °F at 760 mmHg (EPA, 1998)
melting_point: < 25 °C
density: 1.0048 at 68 °F (EPA, 1998) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
flash_point: 142 °F (NTP, 1992)
vapor_pressure: 40 mmHg at 152.8 °F (NTP, 1992)
Descriptions:
pubchem: n-Nitrosodimethylamine can cause cancer according to an independent committee of scientific and health experts.
chembl: N-NITROSODIMETHYLAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: N-Nitrosodimethylamine (NDMA), also known as dimethylnitrosamine (DMN), is an organic compound with the formula (CH3)2NNO. It is one of the simplest members of a large class of nitrosamines. It is a volatile yellow oil. NDMA has attracted wide attention as being highly hepatotoxic and a known carcinogen in laboratory animals.