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Substance Name: Trimethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
RN: 2056-19-1
InChIKey: USAAVKOPISTKKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl2-N2.2Cl-H

Molecular Weight

  • 396.187
 
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Names and Synonyms

Synonyms

  • 1,3-Propanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
  • Benzylamine, N,N'-trimethylenebis(2-chloro-, dihydrochloride
  • N,N'-Bis(o-chlorobenzyl)trimethylenediamine dihydrochloride
  • N,N'-Trimethylenebis(2-chlorobenzylamine) dihydrochloride

Systematic Name

  • Trimethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 2056-19-1

System Generated Number

  • 0002056191

Molecular Formulas

Molecular Formula

  • C17-H20-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C17-H20-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20Cl2N2.2ClH/c18-16-8-3-1-6-14(16)12-20-10-5-11-21-13-15-7-2-4-9-17(15)19;;/h1-4,6-9,20-21H,5,10-13H2;2*1H

InChIKey

USAAVKOPISTKKF-UHFFFAOYSA-N

Smiles

c1(c(Cl)cccc1)CNCCCNCc1c(Cl)cccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 647mg/kg (647mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.