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Substance Name: 4-Methylindole
RN: 16096-32-5
UNII: 3338387XEA
InChIKey: PZOUSPYUWWUPPK-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N

Molecular Weight

  • 131.177
 
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Names and Synonyms

Name of Substance

  • 4-Methylindole

Synonyms

  • EINECS 240-262-5
  • UNII-3338387XEA

Systematic Name

  • 4-Methylindole

Registry Numbers

CAS Registry Number

  • 16096-32-5

FDA UNII

  • 3338387XEA

System Generated Number

  • 0016096325

Structure Descriptors

InChI

1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3

InChIKey

PZOUSPYUWWUPPK-UHFFFAOYSA-N

Smiles

c12c([nH]cc1)cccc2C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5 deg C   EXP
Boiling Point 267 deg C   EXP
log P (octanol-water) 2.54 (none)   EXP
Water Solubility 616 mg/L 25 EST
Vapor Pressure 6.03E-03 mm Hg 25 EST
Henry's Law Constant 9.78E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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