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Substance Name: Oxiphene
RN: 126-04-5
InChIKey: WVTJZCYIIAURJU-UHFFFAOYSA-N

Molecular Formula

  • C19-H25-N-O

Molecular Weight

  • 283.413
 
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Names and Synonyms

Name of Substance

  • Oxiphene

Synonyms

  • 1,2-Diphenyl-3-methyl-4-dimethylamino-2-butanol
  • EINECS 204-765-3

Systematic Names

  • 4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol
  • alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylphenethyl alcohol
  • Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-

Registry Numbers

CAS Registry Number

  • 126-04-5

Other Registry Numbers

  • 30311-86-5
  • 4125-61-5

Related Registry Number

  • 2214-28-0 (hydrochloride)

System Generated Number

  • 0000126045

Structure Descriptors

InChI

1S/C19H25NO/c1-15(14-20(2)3)18(16-10-6-4-7-11-16)19(21)17-12-8-5-9-13-17/h4-13,15,18-19,21H,14H2,1-3H3

InChIKey

WVTJZCYIIAURJU-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.83 (none)   EXP
Water Solubility 83.6 mg/L 25 EST
Vapor Pressure 7.06E-08 mm Hg 25 EST
Henry's Law Constant 2.70E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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