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Substance Name: Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-
RN: 101831-76-9
InChIKey: UKLWZZWLUVCPDA-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-N3

Molecular Weight

  • 253.347
 
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Names and Synonyms

Synonyms

  • 3-(Hexahydro-1H-azepinylmethyl)-5-indolecarbonitrile
  • 5-Cyano-3-(hexamethyleneiminomethyl)indole

Systematic Name

  • Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylmethyl)-

Registry Numbers

CAS Registry Number

  • 101831-76-9

System Generated Number

  • 0101831769

Structure Descriptors

InChI

1S/C16H19N3/c17-10-13-5-6-16-15(9-13)14(11-18-16)12-19-7-3-1-2-4-8-19/h5-6,9,11,18H,1-4,7-8,12H2

InChIKey

UKLWZZWLUVCPDA-UHFFFAOYSA-N

Smiles

c12c(CN3CCCCCC3)c[nH]c1ccc(c2)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1780ug/kg (1.78mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12388,