Molecule ID: 25742

IUPAC Name: N-ethyl-N-(2-hydroxyethyl)nitrous amide

Description: The molecule is a nitrosamine that is N-nitrosodiethylamine in which one of the ethyl froups has been replaced by a 2-hydroxyethyl group. It is used to induce renal and liver tumours in rodents. It has a role as a carcinogenic agent. It is a nitrosamine and a primary alcohol. It derives from a N-nitrosodiethylamine.

SMILES: CCN(CCO)N=O

SELFIES: [C][C][N][Branch1][Ring2][C][C][O][N][=O]

InChI: InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3

Molecular Properties:
- Polar Surface Area: 52.9 Ų
- LogP: -0.1