ASB-14

Catalog	DGS216667082
CAS	216667-08-2
Synonyms	Amidosulfobetaine-14
IUPAC Name	3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate
Molecular Weight	434.68
Molecular Formula	C22H46N2O4S
InChI	InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)
InChI Key	UTSXERRKRAEDOV-UHFFFAOYSA-N
Purity	>99%
Solubility	Soluble in H2O (50 mg/mL)
Appearance	White to off white powder
Complexity	488
Critical Micelle Concentration	8 mM (25ºC)
Exact Mass	434.31782913
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Monoisotopic Mass	434.31782913
Rotatable Bond Count	19
Storage Conditions	4 °C
Topological Polar Surface Area	94.7 Ų
XLogP3-AA	5.4