Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Indole-5-carbonitrile, 3-(2-methylpropionyl)-
RN: 17380-21-1
InChIKey: SQGKUEKDQMXGAI-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N2-O

Molecular Weight

  • 212.251
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-(2-Methylpropionyl)-5-indolecarbonitrile
  • 5-22-06-00348 (Beilstein Handbook Reference)
  • 5-Cyano-3-indolyl isopropyl ketone
  • BRN 0397205

Systematic Name

  • Indole-5-carbonitrile, 3-(2-methylpropionyl)-

Registry Numbers

CAS Registry Number

  • 17380-21-1

System Generated Number

  • 0017380211

Structure Descriptors

InChI

1S/C13H12N2O/c1-8(2)13(16)11-7-15-12-4-3-9(6-14)5-10(11)12/h3-5,7-8,15H,1-2H3

InChIKey

SQGKUEKDQMXGAI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12039,