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Substance Name: Pentamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
RN: 2229-39-2
InChIKey: VFZXCZMELDLREE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-Cl2-N2.2Cl-H

Molecular Weight

  • 424.24
 
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Names and Synonyms

Synonyms

  • 1,5-Pentanediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
  • Benzylamine, N,N'-pentamethylenebis(2-chloro-, dihydrochloride
  • N,N'-Bis(o-chlorobenzyl)pentamethylenediamine dihydrochloride
  • N,N'-Pentamethylenebis(2-chlorobenzylamine) dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2229-39-2

System Generated Number

  • 0002229392

Molecular Formulas

Molecular Formula

  • C19-H24-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C19-H24-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24Cl2N2.2ClH/c20-18-10-4-2-8-16(18)14-22-12-6-1-7-13-23-15-17-9-3-5-11-19(17)21;;/h2-5,8-11,22-23H,1,6-7,12-15H2;2*1H

InChIKey

VFZXCZMELDLREE-UHFFFAOYSA-N

Smiles

c1(c(Cl)cccc1)CNCCCCCNCc1c(Cl)cccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 331mg/kg (331mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.