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Substance Name: 3-Acetylindole
RN: 703-80-0
UNII: 0HAT270V6U
InChIKey: VUIMBZIZZFSQEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O

Molecular Weight

  • 159.1871
 
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Names and Synonyms

Name of Substance

  • 3-Acetylindole

Synonyms

  • 3-Acetyl-1H-indole
  • 3-Acetylindole
  • 5-21-08-00297 (Beilstein Handbook Reference)
  • Acetyl-3-indole
  • Acetyl-3-indole [French]
  • AI3-51299
  • BRN 0122579
  • EINECS 211-875-5
  • NSC 47180
  • NSC 58084
  • UNII-0HAT270V6U

Systematic Names

  • Ethanone, 1-(1H-indol-3-yl)- (9CI)
  • Indol-3-yl methyl ketone
  • Ketone, indol-3-yl methyl

Registry Numbers

CAS Registry Number

  • 703-80-0

FDA UNII

  • 0HAT270V6U

System Generated Number

  • 0000703800

Structure Descriptors

InChI

1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3

InChIKey

VUIMBZIZZFSQEE-UHFFFAOYSA-N

Smiles

CC(=O)c1c[nH]c2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 453, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 192.3 deg C   EXP
log P (octanol-water) 1.740 (none)   EST
Atmospheric OH Rate Constant 1.00E-10 cm3/molecule-sec 25 EST

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