Molecule ID: 54386935

IUPAC Name: N,N-bis(2-hydroxypropyl)nitramide

Description: The molecule is a nitramine that is N,N-bis(2-hydroxypropyl)nitrosamine in which the nitroso group has undergone formal oxidation to the corresponding nitro group. A potent pancreatic carcinogen. It has a role as a carcinogenic agent. It is a diol, a secondary alcohol and a nitramine. It derives from a N,N-bis(2-hydroxypropyl)nitrosamine.

SMILES: CC(O)CN(CC(C)O)[N+](=O)[O-]

SELFIES: [C][C][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][O][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H14N2O4/c1-5(9)3-7(8(11)12)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 0.1