2-Hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate

Catalog	DGS55357385
CAS	55357-38-5
Structure
Synonyms	Choline tosylate
IUPAC Name	2-hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
Molecular Weight	275.36
Molecular Formula	C12H21NO4S
InChI	InChI=1S/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
InChI Key	DVGVMQVOCJNXNJ-UHFFFAOYSA-M
Melting Point	95 °C
Purity	95%
Complexity	240
Exact Mass	275.11912932
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCO
Monoisotopic Mass	275.11912932
Rotatable Bond Count	2
Topological Polar Surface Area	85.8 Ų