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

Catalog Number	ACM15163367
CAS	15163-36-7
Structure
Synonyms	3-(Decyldimethylazaniumyl)propane-1-sulfonate
Molecular Weight	307.5
Molecular Formula	C15H33NO3S
Canonical SMILES	CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI	InChI=1S/C15H33NO3S/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19/h4-15H2,1-3H3
InChI Key	WKALLSVICJPZTM-UHFFFAOYSA-N
Melting Point	221-224 °C
Purity	99%
Complexity	307
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	307.21811509
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	307.21811509
Physical State	Solid
Rotatable Bond Count	12
Topological Polar Surface Area	65.6 Ų

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