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Substance Name: Octamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
RN: 2229-40-5
InChIKey: VHBUILOKMFUWPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-Cl2-N2.2Cl-H

Molecular Weight

  • 466.321
 
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Names and Synonyms

Synonyms

  • 1,8-Octanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
  • Benzylamine, N,N'-octamethylenebis(2-chloro-, dihydrochloride
  • N,N'-Bis(o-chlorobenzyl)octamethylenediamine dihydrochloride
  • N,N'-Octamethylenebis(2-chlorobenzylamine) dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2229-40-5

System Generated Number

  • 0002229405

Molecular Formulas

Molecular Formula

  • C22-H30-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C22-H30-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30Cl2N2.2ClH/c23-21-13-7-5-11-19(21)17-25-15-9-3-1-2-4-10-16-26-18-20-12-6-8-14-22(20)24;;/h5-8,11-14,25-26H,1-4,9-10,15-18H2;2*1H

InChIKey

VHBUILOKMFUWPN-UHFFFAOYSA-N

Smiles

c1(c(Cl)cccc1)CNCCCCCCCCNCc1c(Cl)cccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 525mg/kg (525mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.