ASB-16

Catalog	DGS52562295
CAS	52562-29-5
Structure
Synonyms	Amidosulfobetaine-16; 3-[N,N-Dimethyl-N-(3-palmitamidopropyl)ammonio]propane-1-sulfonate)
IUPAC Name	3-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate
Molecular Weight	462.73
Molecular Formula	C24H50N2O4S
InChI	InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)25-20-17-21-26(2,3)22-18-23-31(28,29)30/h4-23H2,1-3H3,(H-,25,27,28,29,30)
InChI Key	CLCSYZQBLQDRQU-UHFFFAOYSA-N
Purity	>99%
Solubility	Soluble in water
Appearance	White to off white powder
Complexity	517
Critical Micelle Concentration	8 mM (25°C)
Exact Mass	462.34912925
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Monoisotopic Mass	462.34912925
Rotatable Bond Count	21
Shipping	Room temperature
Storage Conditions	4 °C
Topological Polar Surface Area	94.7 Ų
XLogP3-AA	6.4