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Substance Name: Indole-5-carbonitrile, 3-(hexahydro-1(2H)-azocinylmethyl)-
RN: 101831-77-0
InChIKey: WUUZKFSRXVUYOB-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N3

Molecular Weight

  • 267.374
 
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Names and Synonyms

Synonyms

  • 3-(Hexahydro-1(2H)-azocinylmethyl)-5-indolecarbonitrile
  • 5-Cyano-3-(heptamethyleneiminomethyl)indole

Systematic Name

  • Indole-5-carbonitrile, 3-(hexahydro-1(2H)-azocinylmethyl)-

Registry Numbers

CAS Registry Number

  • 101831-77-0

System Generated Number

  • 0101831770

Structure Descriptors

InChI

1S/C17H21N3/c18-11-14-6-7-17-16(10-14)15(12-19-17)13-20-8-4-2-1-3-5-9-20/h6-7,10,12,19H,1-5,8-9,13H2

InChIKey

WUUZKFSRXVUYOB-UHFFFAOYSA-N

Smiles

c12c(CN3CCCCCCC3)c[nH]c1ccc(c2)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2000ug/kg (2mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12389,