Sulfobetaine-8

Catalog	DGS15178764
CAS	15178-76-4
Structure
Synonyms	Octyl sulfobetaine
IUPAC Name	3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
Molecular Weight	279.44
Molecular Formula	C13H29NO3S
InChI	InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
InChI Key	QZRAABPTWGFNIU-UHFFFAOYSA-N
Melting Point	212-215 °C (lit.)
Solubility	Soluble in water
Appearance	White solid
Complexity	281
Conductance	<70 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 390 mM (10.9%)
EC Number	626-362-5
Exact Mass	279.18681496
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
Monoisotopic Mass	279.18681496
pH	5-8 (1% solution in water)
Rotatable Bond Count	10
Storage Conditions	15-30 °C
Topological Polar Surface Area	65.6 Ų
XLogP3-AA	2.9