Molecule ID: 43371

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

Description: The molecule is a nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible). It has a role as a carcinogenic agent. It is a nitrosamine and a ketone.

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/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: -0.3