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Substance Name: Benzenepropanoic acid, beta-ethyl- (9CI)
RN: 5669-17-0
InChIKey: NJEKDDOCPZKREE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • 3-Phenylpentanoic acid
  • 3-Phenylvaleric acid
  • beta-Ethylbenzenepropanoic acid
  • beta-Ethylhydrocinnamic acid
  • NSC 30122

Systematic Names

  • Benzenepropanoic acid, beta-ethyl- (9CI)
  • Hydrocinnamic acid, beta-ethyl-

Registry Numbers

CAS Registry Number

  • 5669-17-0

System Generated Number

  • 0005669170

Structure Descriptors

InChI

1S/C11H14O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)

InChIKey

NJEKDDOCPZKREE-UHFFFAOYSA-N

Smiles

c1([C@@H](CC(O)=O)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 748mg/kg (748mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 23, 1961.