NDSB-195

Catalog	DGS160255061
CAS	160255-06-1
Structure
Synonyms	N-Ethyl-N,N-dimethyl-3-sulfo-1-propanaminium inner salt
IUPAC Name	3-[ethyl(dimethyl)azaniumyl]propane-1-sulfonate
Molecular Weight	195.28
Molecular Formula	C7H17NO3S
InChI	InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3
InChI Key	NNCRHRDBFDCWPA-UHFFFAOYSA-N
Melting Point	>300 °C
Solubility	Soluble in water
Appearance	White powder
Complexity	202
EC Number	627-262-4
Exact Mass	195.09291458
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Hygroscopic	Yes
Isomeric SMILES	CC[N+](C)(C)CCCS(=O)(=O)[O-]
Light Sensitive	No
Monoisotopic Mass	195.09291458
Rotatable Bond Count	4
Storage Conditions	-20 °C
Topological Polar Surface Area	65.6 Ų
XLogP3-AA	-0.2