1-Propanaminium, 3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

85005-94-3

CAS Name

1-Propanaminium, 3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C10H22Cl2NO2.C7H7O3S

Cite this Page

1-Propanaminium, 3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85005-94-3 (retrieved 2024-09-28) (CAS RN: 85005-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

InChIKey=ASQPAZOHJBRJBC-UHFFFAOYSA-M

SMILES

[N+](CC(CCl)O)(CC(CCl)O)(CC)CC.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Canonical SMILES

O=S(=O)([O-])C1=CC=C(C=C1)C.ClCC(O)C[N+](CC)(CC)CC(O)CCl

Other Names for this Substance

  • 1-Propanaminium, 3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-, 4-methylbenzenesulfonate (1:1)
  • 1-Propanaminium, 3-chloro-N-(3-chloro-2-hydroxypropyl)-N,N-diethyl-2-hydroxy-, salt with 4-methylbenzenesulfonic acid (1:1)

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