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Substance Name: Acetic acid, 2-(p-(methallylamino)phenyl)-
RN: 39718-81-5
InChIKey: XOWCLHYCFHINRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O2

Molecular Weight

  • 205.255
 
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Names and Synonyms

Synonyms

  • (4-Methallyl aminophenyl)acetic acid
  • 4-((2-Methyl-2-propenyl)amino)benzeneacetic acid
  • Acide methallylamino-4 phenylacetique
  • Acide methallylamino-4 phenylacetique [French]
  • BRN 2370098

Systematic Names

  • Acetic acid, 2-(p-(methallylamino)phenyl)-
  • Benzeneacetic acid, 4-((2-methyl-2-propenyl)amino)- (9CI)

Registry Numbers

CAS Registry Number

  • 39718-81-5

System Generated Number

  • 0039718815

Structure Descriptors

InChI

1S/C12H15NO2/c1-9(2)8-13-11-5-3-10(4-6-11)7-12(14)15/h3-6,13H,1,7-8H2,2H3,(H,14,15)

InChIKey

XOWCLHYCFHINRL-UHFFFAOYSA-N

Smiles

c1(ccc(NCC(C)=C)cc1)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1780mg/kg (1780mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 207, 1979.