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Substance Name: Valeronitrile, 3-ethyl-3-phenyl-
RN: 73840-27-4
InChIKey: XXODCUUAJYJHJC-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N

Molecular Weight

  • 187.2843
 
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Names and Synonyms

Synonym

  • 3-Ethyl-3-phenylvaleronitrile

Systematic Name

  • Valeronitrile, 3-ethyl-3-phenyl-

Registry Numbers

CAS Registry Number

  • 73840-27-4

System Generated Number

  • 0073840274

Structure Descriptors

InChI

1S/C13H17N/c1-3-13(4-2,10-11-14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3

InChIKey

XXODCUUAJYJHJC-UHFFFAOYSA-N

Smiles

CCC(CC)(CC#N)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03595,