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Substance Name: (2-Hydroxy-3-(2-(methylthio)phenoxy)propyl)isopropylammonium chloride
RN: 13379-87-8
InChIKey: PVEDMRUIEHGPIM-UHFFFAOYSA-M

Molecular Formula

  • C13-H21-N-O2-S.Cl-H

Molecular Weight

  • 291.8408
 
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Names and Synonyms

Synonym

  • EINECS 236-453-8

Systematic Names

  • (2-Hydroxy-3-(2-(methylthio)phenoxy)propyl)isopropylammonium chloride
  • 2-Propanol, 1-(isopropylamino)-3-(o-(methylthio)phenoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 13379-87-8

System Generated Number

  • 0013379878

Molecular Formulas

Molecular Formula

  • C13-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C13-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H22NO2S.ClH/c1-11(2)7-8-12(15)10-16-13-6-4-5-9-14(13)17-3;/h4-6,9,11-12,15H,7-8,10H2,1-3H3;1H/q+1;/p-1

InChIKey

PVEDMRUIEHGPIM-UHFFFAOYSA-M

Smiles

CC(C)CCC(COc1cccc[n+]1SC)O.[Cl-]