Molecule ID: 40828

IUPAC Name: N,N-bis(2-hydroxypropyl)nitrous amide

Description: The molecule is a nitrosamine that is dipropylamine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It is a genotoxic carcinogen, targeting the lung, liver, thyroid, and kidney. It has a role as a carcinogenic agent. It is a nitrosamine, a secondary alcohol and a diol.

SMILES: CC(O)CN(CC(C)O)N=O

SELFIES: [C][C][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][O][N][=O]

InChI: InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 73.1 Ų
- LogP: -0.3