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Substance Name: 3-Methoxytyramine
RN: 554-52-9
UNII: JCH2767EDP
InChIKey: DIVQKHQLANKJQO-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N-O2

Molecular Weight

  • 167.2067
 
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Names and Synonyms

Name of Substance

  • 3-Methoxytyramine

Synonyms

  • EC 611-267-3
  • Methoxytyramine
  • UNII-JCH2767EDP

Systematic Names

  • 4-(2-Amino-ethyl)-2-methoxy-phenol
  • Phenol, 4-(2-aminoethyl)-2-methoxy-

Registry Numbers

CAS Registry Number

  • 554-52-9

FDA UNII

  • JCH2767EDP

Related Registry Number

  • 1477-68-5 (hydrochloride)

System Generated Number

  • 0000554529

Structure Descriptors

InChI

1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3

InChIKey

DIVQKHQLANKJQO-UHFFFAOYSA-N

Smiles

COc1cc(ccc1O)CCN

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 9.54 (none)   EXP
log P (octanol-water) -0.08 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 1.02E-05 mm Hg 25 EST
Henry's Law Constant 9.70E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-10 cm3/molecule-sec 25 EST

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