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Substance Name: 3-(Indol-3-yl)propionic acid
RN: 830-96-6
UNII: JF49U1Q7KN
InChIKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N-O2

Molecular Weight

  • 189.2129
 
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Names and Synonyms

Name of Substance

  • 3-(Indol-3-yl)propionic acid
  • Indolepropionic acid

Synonyms

  • 1H-Indole-3-propionic acid
  • 3-(2-Carboxyethyl)-1H-indole
  • 3-(3-Indole)propionic acid
  • 3-(3-Indolyl)propanoic acid
  • 3-(3-Indolyl)propionic acid
  • 5-22-03-00114 (Beilstein Handbook Reference)
  • AI3-17433
  • beta-(3-Indolyl)propionic acid
  • beta-Indolylpropionate
  • BRN 0147733
  • CCRIS 4424
  • EINECS 212-600-1
  • Indole-3-propionic acid
  • Indolepropionic acid
  • IPA (auxin)
  • NSC 3252
  • NSC 47831
  • UNII-JF49U1Q7KN
  • VP 20629

Systematic Names

  • 1H-Indole-3-propanoic acid
  • 1H-Indole-3-propionic acid
  • 1H-Indole-3-proponoic acid
  • 3-(Indol-3-yl)propionic acid
  • Indole-3-propionic acid

Registry Numbers

CAS Registry Number

  • 830-96-6

FDA UNII

  • JF49U1Q7KN

System Generated Number

  • 0000830966

Structure Descriptors

InChI

1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

InChIKey

GOLXRNDWAUTYKT-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 34, Pg. 138, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134-135 deg C   EXP
log P (octanol-water) 1.75 (none)   EXP
Water Solubility 3940 mg/L 25 EST
Vapor Pressure 2.27E-06 mm Hg 25 EST
Henry's Law Constant 9.65E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.