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Substance Name: 1,6-Hexanediamine, N,N'-bis(2,5-dimethylheptyl)-1,6-dimethyl-, dihydrochloride
RN: 63834-46-8
InChIKey: KJSWIAZTEMACJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H56-N2.2Cl-H

Molecular Weight

  • 469.664
 
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Names and Synonyms

Synonyms

  • Heptylamine, N,N'-(1,6-dimethylhexamethylene)bis(2,5-dimethyl-, dihydrochloride
  • N,N'-(1,6-Dimethylhexamethylene)bis(2,5-dimethylheptaneamine) dihydrochloride
  • N,N'-Bis(2,5-dimethylheptyl)-1,6-dimethyl-1,6-hexanediamine dihydrochloride

Systematic Name

  • 1,6-Hexanediamine, N,N'-bis(2,5-dimethylheptyl)-1,6-dimethyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63834-46-8

System Generated Number

  • 0063834468

Molecular Formulas

Molecular Formula

  • C26-H56-N2.2Cl-H

Molecular Formula Fragments

  • C26-H56-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H56N2.2ClH/c1-9-21(3)15-17-23(5)19-27-25(7)13-11-12-14-26(8)28-20-24(6)18-16-22(4)10-2;;/h21-28H,9-20H2,1-8H3;2*1H

InChIKey

KJSWIAZTEMACJB-UHFFFAOYSA-N

Smiles

C([C@@H](CC[C@@H](CC)C)C)[NH2+][C@@H](CCCC[C@@H]([NH2+]C[C@@H](CC[C@@H](CC)C)C)C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 846mg/kg (846mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 329, 1966.