3-(Diethylprop-2-ynylamino)propanesulfonic acid

Catalog Number	ACM70155907-1
CAS	70155-90-7
Structure
Synonyms	Deps
IUPAC Name	3-[Diethyl(prop-2-ynyl)azaniumyl]propane-1-sulfonate
Molecular Weight	233.33
Molecular Formula	C10H19NO3S
Canonical SMILES	CC[N+](CC)(CCCS(=O)(=O)[O-])CC#C
InChI	InChI=1S/C10H19NO3S/c1-4-8-11(5-2,6-3)9-7-10-15(12,13)14/h1H,5-10H2,2-3H3
InChI Key	XTPJLNSARGBDNC-UHFFFAOYSA-N
Melting Point	230-235 °C
Purity	98%+
Appearance	Powder
Exact Mass	233.10856464
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	233.10856464
Rotatable-Bond Count	6
Topological Polar Surface Area	65.6 Ų

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