Cocamidopropyl betaine

Catalog	DGS86438791
CAS	86438-79-1
Structure
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