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Substance Name: 5-Methoxyindole
RN: 1006-94-6
UNII: DQM3AS43PQ
InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N-O

Molecular Weight

  • 147.176
 
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Names and Synonyms

Name of Substance

  • 5-Methoxyindole

Synonyms

  • 5-Methoxy-1H-indole
  • 5-Methoxyindole
  • EINECS 213-745-3
  • Femedol
  • Methoxy-5 indole
  • Methoxy-5 indole [French]
  • NSC 521752
  • UNII-DQM3AS43PQ

Systematic Names

  • 1H-Indole, 5-methoxy- (9CI)
  • Indol-5-yl methyl ether
  • Indole, 5-methoxy-

Registry Numbers

CAS Registry Number

  • 1006-94-6

FDA UNII

  • DQM3AS43PQ

System Generated Number

  • 0001006946

Structure Descriptors

InChI

1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3

InChIKey

DWAQDRSOVMLGRQ-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)OC)[nH]cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 370mg/kg (370mg/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 56-58 deg C   EXP
log P (octanol-water) 2.06 (none)   EXP
Water Solubility 1360 mg/L 25 EST
Vapor Pressure 1.76E-03 mm Hg 25 EST
Henry's Law Constant 5.24E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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