Cocamidopropyl betaine

• Catalog Number: ACM86438791
• Product Name: Cocamidopropyl betaine
• CAS: 86438-79-1
• Category: Heterocyclic Organic Compound
• Synonyms: {[3-(Dodecanoylamino)propyl](dimethyl)ammonio}acetate
• IUPAC Name: 2-[3-(dodecanoylamino)propyl-dimethylazaniumyl]acetate
• Molecular Weight: 342.52
• Molecular Formula: C19H38N2O3
• InChI: InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
• InChI Key: MRUAUOIMASANKQ-UHFFFAOYSA-N
• Boiling Point: 650.63 °C (Predicted)
• Melting Point: 282.96 °C (Predicted)
• Appearance: Liquid
• Complexity: 338
• EC Number: 263-058-8
• Exact Mass: 342.28824308
• Formal Charge: 0
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
• MDL Number: MFCD00239947
• Monoisotopic Mass: 342.28824308
• Rotatable Bond Count: 15
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 69.2 Ų
• XLogP3-AA: 5.4