Compound: N-NITROSODIETHYLAMINE
SMILES: O=NN(CC)CC
InChIKey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
Synonyms: N-NITROSODIETHYLAMINE, 55-18-5, Diethylnitrosamine, NDEA, N-Ethyl-N-nitrosoethanamine, Diethylnitrosoamine, N,N-Diethylnitrosoamine, Nitrosodiethylamine, N,N-Diethylnitrosamine, Diethylnitrosamide, DENA, Ethanamine, N-ethyl-N-nitroso-, Diethylamine, N-nitroso-, N-Nitroso-N,N-diethylamine, Diaethylnitrosamin, DEN (mutagen), N-Nitroso-diaethylamine, N-Ethyl-N-nitroso-ethanamine, DTXSID2021028, 3IQ78TTX1A, NSC-132, DTXCID901028, NSC132, CHEBI:34873, nitrous diethylamide, N Nitrosodiethylamine, RefChem:388928, 200-226-1, DANA, N,N-diethylnitrous amide, Ethylamine, N-nitrosodi-, DEN, RCRA waste number U174, NSC 132, MFCD00013890, diethyl(nitroso)amine, n-nitroso-diethylamine, N-Nitrosodiethylamine-d4, 1,1-Diethyl-2-oxohydrazine, N-Diethylnitrosamine, N-Nitrosodiethylamine (1mg/mL in Methanol), N-Nitrosodiethylamine 0.1 mg/ml in Methanol, N-Nitrosodiethylamine (100ug/mL in Methanol), Nitrosamine, diethyl-, Diethylnirtosamine, Diaethylnitrosamin [German], CAS-55-18-5, CCRIS 239, 1346603-41-5, HSDB 4001, N-Nitroso-diaethylamine [German], Indapamide Impurity 40, EINECS 200-226-1, RCRA waste no. U174, UNII-3IQ78TTX1A, BRN 1744991, AI3-62031, diethyl-nitroso-amine, Diaethylnitrosamin;NDMA, N-Nitroso-diethylamine CRS, N-Ethyl-N-nitroso-ethylamine, N-Nitrosodiethylamine, liquid, MLS002415760, N-Nitroso-Diethylamine(Ndea), BIDD:ER0527, SCHEMBL106629, WLN: ONN2&2, CHEMBL164290, orb1304080, orb3139932, 1,1-Diethyl-2-oxohydrazine #, HY-N7434R, N-Nitrosodiethylamine (Standard), HMS3039G08, N-NITROSODIETHYLAMINE [MI], N-Nitrosodiethylamine, ISOPAC(R), HY-N7434, N-NITROSODIETHYLAMINE [HSDB], N-NITROSODIETHYLAMINE [IARC], Tox21_201255, Tox21_300533, EBC-53062, MSK4909-100M, STL220642, AKOS015903105, MSK4909-1000M, N-NITROSODIETHYLAMINE [USP-RS], FN26360, N-Nitrosodiethylamine, >=99.0% (GC), NCGC00091350-01, NCGC00091350-02, NCGC00091350-03, NCGC00091350-04, NCGC00254309-01, NCGC00258807-01, BS-17234, N-Nitrosodiethylamine, analytical standard, SMR001370919, SY053647, DB-052695, CS-0128799, D0516, N-Nitrosodiethylamine (1 mg/mL in Methanol), NS00000638, ST45244472, F14922, G91459, N-Nitrosodiethylamine (100 ug/mL in Methanol), EN300-1296529, F513972, N-Nitroso-diethylamine 100 microg/mL in Methanol, N-Nitroso-diethylamine 1000 microg/mL in Methanol, N-Nitroso-Diethylamine(Discontinued,See C4X-140040), Q22138388, N-Nitroso-diethylamine Solution in Methanol, 100_g/mL, N-Nitroso-diethylamine Solution in Methanol, 1000_g/mL, Z1255485632, InChI=1/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H
Theoretical properties:
molecular_formula: C4H10N2O
molecular_weight: 102.14 g/mol
exact_mass: 102.079312947 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 32.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow oil
color: Yellow oil
boiling_point: 351 °F at 760 mmHg (NTP, 1992)
density: 0.9422 at 68 °F (NTP, 1992) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
flash_point: 145 °F (NTP, 1992)
vapor_pressure: 5.7 mmHg at 77 °F ; 8.8 mmHg at 94.1 °F (NTP, 1992)
Descriptions:
pubchem: n-Nitrosodiethylamine can cause cancer according to an independent committee of scientific and health experts.
chebi: A nitrosamine that is <em>N</em>-ethylethanamine substituted by a nitroso group at the <em>N</em>-atom.
chembl: N-NITROSODIETHYLAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: N-Nitrosodiethylamine (NDEA) is an organic compound with the formula Et2NNO (Et = C2H5).  A member of the nitrosamines, it is a light-sensitive, volatile, clear yellow oil that is soluble in water, lipids, and other organic solvents. It has an amine or aromatic odor. It is used as gasoline and lubricant additive, antioxidant, and stabilizer for industry materials. When heated to decomposition, N-nitrosodiethylamine emits toxic fumes of nitrogen oxides. N-Nitrosodiethylamine affects DNA integrity, probably by alkylation, and is used in experimental research to induce liver tumorigenesis. It is carcinogenic and mutagenic. NDEA has also been found to perturb amino acid biosynthesis including arginine, as well as DNA damage repair and mitochondrial genome maintenance in yeast.
It is found in tobacco smoke.
It is classified as a Group 2A carcinogen (probable human carcinogen) by the World Health Organization.