Indole-3-butyric acid

CAS Registry Number®

133-32-4

CAS Name

Indole-3-butyric acid

Molecular Formula

C12H13NO2

Molecular Mass

203.24

Cite this Page

Indole-3-butyric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133-32-4 (retrieved 2024-11-21) (CAS RN: 133-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)

InChIKey

InChIKey=JTEDVYBZBROSJT-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)C=1C=2C(NC1)=CC=CC2

Canonical SMILES

O=C(O)CCCC1=CNC=2C=CC=CC21

Other Names for this Substance

  • 1H-Indole-3-butanoic acid
  • Indole-3-butyric acid
  • IBA
  • γ-(Indol-3-yl)butyric acid
  • 3-Indolylbutyric acid

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Deleted or Replaced CAS Registry Numbers

111150-79-9, 65216-51-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration