Molecule ID: 19665

IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amide

Description: The molecule is a nitrosamine that has butyl and 4-hydroxybutyl substituents. In mice, it causes high-grade, invasive cancers in the urinary bladder, but not in any other tissues. It has a role as a carcinogenic agent. It is a nitrosamine and a primary alcohol.

SMILES: CCCCN(CCCCO)N=O

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

InChI: InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3

Molecular Properties:
- Polar Surface Area: 52.9 Ų
- LogP: 1.4