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Substance Name: 3-Indolepropionic acid, 2,5-dimethyl-
RN: 73816-53-2
InChIKey: OXLKRUQISCGSMH-UHFFFAOYSA-N

Molecular Formula

  • C13-H13-N-O2

Molecular Weight

  • 217.2665
 
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Names and Synonyms

Synonym

  • 2,5-Dimethyl-3-indolepropionic acid

Systematic Name

  • 3-Indolepropionic acid, 2,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 73816-53-2

System Generated Number

  • 0073816532

Structure Descriptors

InChI

1S/C13H15NO2/c1-8-3-5-12-11(7-8)10(9(2)14-12)4-6-13(15)16/h3,5,7,14H,4,6H2,1-2H3,(H,15,16)

InChIKey

OXLKRUQISCGSMH-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)c(c([nH]2)C)CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04142,