Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl indole-3-propanoate
RN: 5548-09-4
UNII: PR3BRO222F
InChIKey: BAYIDMGOQRXHBC-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-N-O2

Molecular Weight

  • 203.2397
 
* 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

Name of Substance

  • Methyl indole-3-propanoate

Synonyms

  • 5-22-03-00115 (Beilstein Handbook Reference)
  • BRN 0171479
  • Methyl 3-(3-indolyl)propanoate
  • Methyl 3-(indol-3-yl)propionate
  • Methyl beta-(3-indolyl)-propionate
  • Methyl indole-3-propanoate
  • Methyl indole-3-propionate
  • NSC 56004
  • Propionic acid, 3-(3-indolyl)-, methyl ester
  • UNII-PR3BRO222F

Systematic Names

  • 1H-Indole-3-propanoic acid, methyl ester (9CI)
  • Indole-3-propionic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 5548-09-4

FDA UNII

  • PR3BRO222F

System Generated Number

  • 0005548094

Structure Descriptors

InChI

1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3

InChIKey

BAYIDMGOQRXHBC-UHFFFAOYSA-N

Smiles

COC(=O)CCc1c[nH]c2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01188,