Molecule ID: 56927888

IUPAC Name: 2-[diamino-[3-(dodecanoylamino)propyl]azaniumyl]acetate

Description: The molecule is an ammonium betaine in which the the ammonium nitrogen is substituted by two amino groups and a lauramidopropyl group. It is the major (>50%) component of cocamidopropyl betaine. It has a role as a surfactant.

SMILES: CCCCCCCCCCCC(O)=NCCC[N+](N)(N)CC(=O)[O-]

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

InChI: InChI=1S/C17H36N4O3/c1-2-3-4-5-6-7-8-9-10-12-16(22)20-13-11-14-21(18,19)15-17(23)24/h2-15,18-19H2,1H3,(H-,20,22,23,24)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: 1.6