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Substance Name: Hexamethylenediamine, N,N'-bis(o-chlorobenzyl)-, dihydrochloride
RN: 2056-21-5
InChIKey: YMCXHQCNURJAPH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-Cl2-N2.2Cl-H

Molecular Weight

  • 438.267
 
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Names and Synonyms

Synonyms

  • Benzylamine, N,N'-hexamethylenebis(2-chloro-, dihydrochloride
  • N,N'-Bis(o-chlorobenzyl)hexamethylenediamine dihydrochloride
  • N,N'-Hexamethylenebis(2-chlorobenzylamine) dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2056-21-5

System Generated Number

  • 0002056215

Molecular Formulas

Molecular Formula

  • C20-H26-Cl2-N2.2Cl-H

Molecular Formula Fragments

  • C20-H26-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26Cl2N2.2ClH/c21-19-11-5-3-9-17(19)15-23-13-7-1-2-8-14-24-16-18-10-4-6-12-20(18)22;;/h3-6,9-12,23-24H,1-2,7-8,13-16H2;2*1H

InChIKey

YMCXHQCNURJAPH-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)C[NH2+]CCCCCC[NH2+]Cc1c(cccc1)Cl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.