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Substance Name: 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
RN: 26487-67-2
InChIKey: ZQDSOUPBYJIPNM-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-Cl-N.Cl-H

Molecular Weight

  • 198.135
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-hexahydro-1H-azepine hydrochloride
  • 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
  • 2-(Hexamethyleneimino)ethyl chloride hydrochloride
  • EINECS 247-733-4
  • NSC 74513

Systematic Names

  • 1H-Azepine, 1-(2-chloroethyl)hexahydro-, hydrochloride (8CI)(9CI)
  • 1H-Azepine, hexahydro-1-(2-chloroethyl)-, hydrochloride
  • N-(2-Chloroethyl)perhydroazepine hydrochloride

Registry Numbers

CAS Registry Number

  • 26487-67-2

System Generated Number

  • 0026487672

Molecular Formulas

Molecular Formula

  • C8-H16-Cl-N.Cl-H

Molecular Formula Fragments

  • C8-H16-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H

InChIKey

ZQDSOUPBYJIPNM-UHFFFAOYSA-N

Smiles

[NH+]1(CCCCCC1)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00612,