Dimethyl(2-hydroxyethyl)ammonium propane sulfonate

Catalog Number	ACM38880589-1
CAS	38880-58-9
Structure
Synonyms	NDSB-211
IUPAC Name	2-Hydroxyethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
Molecular Weight	211.28
Molecular Formula	C7H17NO4S
Canonical SMILES	C[N+](C)(CCCS(=O)(=O)[O-])CCO
InChI	InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3
InChI Key	CNXPCGBLGHKAIL-UHFFFAOYSA-N
Melting Point	246-250 °C
Purity	98%
Complexity	216
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	211.0878292
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Monoisotopic Mass	211.0878292
Physical State	Solid
Rotatable Bond Count	5
Topological Polar Surface Area	85.8 Ų

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Dimethyl(2-hydroxyethyl)ammonium propane sulfonate (38880-58-9)

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