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Substance Name: Hexahydro-1H-azepine-1-butanenitrile
RN: 3194-43-2
UNII: V9AX471ZUG
InChIKey: OQPSAQBHEQYYMJ-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-N2

Molecular Weight

  • 166.266
 
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Names and Synonyms

Name of Substance

  • Hexahydro-1H-azepine-1-butanenitrile

Synonyms

  • 1-(Hexahydro-1H-azepin-1-yl)butyronitrile
  • 1H-Azepine-1-butyronitrile, hexahydro-
  • 4-(Hexamethyleneimino)butyronitrile
  • BRN 1562221
  • EINECS 221-694-3
  • NSC 165580
  • UNII-V9AX471ZUG

Systematic Names

  • Butyronitrile, 1-(hexahydro-1H-azepin-1-yl)-
  • Hexahydro-1H-azepine-1-butyronitrile

Registry Numbers

CAS Registry Number

  • 3194-43-2

FDA UNII

  • V9AX471ZUG

System Generated Number

  • 0003194432

Structure Descriptors

InChI

1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2

InChIKey

OQPSAQBHEQYYMJ-UHFFFAOYSA-N

Smiles

N#CCCCN1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07825,