1-(1H-Indol-3-yl)-1-butanone

CAS Registry Number®

22582-67-8
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CAS Name

1-(1H-Indol-3-yl)-1-butanone

Molecular Formula

C12H13NO

Molecular Mass

187.24

Cite this Page

1-(1H-Indol-3-yl)-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22582-67-8 (retrieved 2024-05-03) (CAS RN: 22582-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO/c1-2-5-12(14)10-8-13-11-7-4-3-6-9(10)11/h3-4,6-8,13H,2,5H2,1H3

InChIKey

InChIKey=CPSCIKJSJRJTMF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C1=CNC=2C=CC=CC21)CCC

Other Names for this Substance

  • 1-Butanone, 1-(1H-indol-3-yl)-
  • 1-Butanone, 1-indol-3-yl-
  • 1-(1H-Indol-3-yl)-1-butanone
  • 3-Butyrylindole
  • 3-Butyryl-1H-indole

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