9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-

Base Information

• Chemical Name: 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
• CAS No.: 871-37-4
• Deprecated CAS: 216165-63-8
• Molecular Formula: C22H43NO2
• Molecular Weight: 353.58
• European Community (EC) Number: 212-806-1
• DSSTox Substance ID: DTXSID6061230
• ChEMBL ID: CHEMBL4556795
• Mol file: 871-37-4.mol

Synonyms:SCHEMBL8432356;CHEMBL4556795;DTXSID6061230;9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-;871-37-4

Chemical Property of 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-

Chemical Property:

• PSA: 40.13000
• LogP: 4.85020
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 353.329379614
• Heavy Atom Count: 25
• Complexity: 331

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC(=O)[O-]
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC(=O)[O-]
• Uses: oleyl betaine is a mild emollient, conditioning surfactant, and formulation thickener.