NDSB-211

Catalog	DGS38880589
CAS	38880-58-9
Structure
Synonyms	3-((2-Hydroxyethyl)dimethylammonio)propane-1-sulfonate
IUPAC Name	3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate
Molecular Weight	211.28
Molecular Formula	C7H17NO4S
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
Solubility	Soluble in water and DMSO
Appearance	White solid
Complexity	216
Exact Mass	211.08782920
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[N+](C)(CCCS(=O)(=O)[O-])CCO
Monoisotopic Mass	211.08782920
Rotatable Bond Count	5
Storage Conditions	-20 °C
Topological Polar Surface Area	85.8 Ų
XLogP3-AA	-1.2