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Substance Name: Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-
RN: 101831-75-8
InChIKey: TUZGICCELXBYRK-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N3

Molecular Weight

  • 267.374
 
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Names and Synonyms

Synonyms

  • 3-(Hexahydro-1H-azepinylethyl)-5-indolecarbonitrile
  • 5-Cyano-3-hexamethyleneiminoethyl indole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101831-75-8

System Generated Number

  • 0101831758

Structure Descriptors

InChI

1S/C17H21N3/c18-12-14-5-6-17-16(11-14)15(13-19-17)7-10-20-8-3-1-2-4-9-20/h5-6,11,13,19H,1-4,7-10H2

InChIKey

TUZGICCELXBYRK-UHFFFAOYSA-N

Smiles

c12c([nH]cc1CCN1CCCCCC1)ccc(c2)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12404,