N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Catalog Number	ACM2281110-1
CAS	2281-11-0
Structure
Synonyms	3-(N,N-Dimethylpalmitylammonio)propanesulfonate
IUPAC Name	3-[Hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate
Molecular Weight	391.7
Molecular Formula	C21H45NO3S
Canonical SMILES	CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI	InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3
InChI Key	TUBRCQBRKJXJEA-UHFFFAOYSA-N
Melting Point	242 °C
Purity	99%
Complexity	389
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	391.31201547
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	391.31201547
Physical State	Solid
Rotatable Bond Count	18
Topological Polar Surface Area	65.6 Ų

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N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (2281-11-0)

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