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Substance Name: Methylephedrine, (+/-)-
RN: 1201-56-5
UNII: SHS9PGQ2LS
InChIKey: FMCGSUUBYTWNDP-ONGXEEELSA-N

Molecular Formula

  • C11-H17-N-O

Molecular Weight

  • 179.2613
 
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Names and Synonyms

Name of Substance

  • Methylephedrine, (+/-)-

Synonyms

  • EINECS 214-859-6
  • UNII-SHS9PGQ2LS

Systematic Name

  • (R*,S*)-(1)-alpha-(1-(Dimethylamino)ethyl)benzyl alcohol

Registry Numbers

CAS Registry Number

  • 1201-56-5

FDA UNII

  • SHS9PGQ2LS

System Generated Number

  • 0001201565

Structure Descriptors

InChI

1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1

InChIKey

FMCGSUUBYTWNDP-ONGXEEELSA-N

Smiles

C[C@@H]([C@H](O)c1ccccc1)N(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 9.2 (none) 26 EXP
log P (octanol-water) 1.7 (none)   EXP
Water Solubility 2.00E+04 mg/L 25 EST
Vapor Pressure 8.12E-04 mm Hg 25 EST
Henry's Law Constant 1.90E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

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