Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenebutanenitrile, gamma-oxo-alpha-phenyl-
RN: 6268-00-4
InChIKey: JRWUFQJVJGKCCT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N-O

Molecular Weight

  • 235.285
 
* 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

  • 4-10-00-02996 (Beilstein Handbook Reference)
  • BRN 0649013
  • EINECS 228-440-0
  • gamma-Oxo-alpha-phenylbenzenebutanenitrile
  • Hydratroponitrile, beta-benzoyl-

Systematic Names

  • Benzenebutanenitrile, gamma-oxo-alpha-phenyl-
  • gamma-Oxo-alpha-phenylbenzenebutyronitrile

Registry Numbers

CAS Registry Number

  • 6268-00-4

System Generated Number

  • 0006268004

Structure Descriptors

InChI

1S/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2

InChIKey

JRWUFQJVJGKCCT-UHFFFAOYSA-N

Smiles

N#C[C@@H](CC(=O)c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 57, 1954.