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Substance Name: 5-Methylindole
RN: 614-96-0
UNII: KT52363RI5
InChIKey: YPKBCLZFIYBSHK-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N

Molecular Weight

  • 131.177
 
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Names and Synonyms

Name of Substance

  • 5-Methylindole

Synonyms

  • 5-Methylindol
  • 5-Methylindole
  • EINECS 210-400-9
  • NSC 522562
  • UNII-KT52363RI5

Systematic Names

  • 1H-Indole, 5-methyl-
  • 1H-Indole, 5-methyl- (9CI)
  • 5-Methylindole
  • Indole, 5-methyl- (8CI)

Registry Numbers

CAS Registry Number

  • 614-96-0

FDA UNII

  • KT52363RI5

System Generated Number

  • 0000614960

Structure Descriptors

InChI

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

InChIKey

YPKBCLZFIYBSHK-UHFFFAOYSA-N

Smiles

c12c(cc(C)cc2)cc[nH]1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
Boiling Point 267 deg C   EXP
log P (octanol-water) 2.68 (none)   EXP
Water Solubility 468 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.