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Substance Name: Benzonitrile, 4-(allyloxy)-3,5-dimethyl-
RN: 100191-87-5
InChIKey: YBVGKMVTIIYKTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O

Molecular Weight

  • 187.241
 
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Names and Synonyms

Synonyms

  • 4-Allyloxy-3,5-dimethylbenzonitrile
  • BRN 2693428

Systematic Name

  • Benzonitrile, 4-(allyloxy)-3,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 100191-87-5

System Generated Number

  • 0100191875

Structure Descriptors

InChI

1S/C12H13NO/c1-4-5-14-12-9(2)6-11(8-13)7-10(12)3/h4,6-7H,1,5H2,2-3H3

InChIKey

YBVGKMVTIIYKTM-UHFFFAOYSA-N

Smiles

c1(c(cc(C#N)cc1C)C)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.