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Substance Name: Morpholine, 4-methyl-2-(2-methylpropoxy)-2-phenyl-, hydrochloride
RN: 124497-86-5
InChIKey: FXOXLNFTVYGMBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Weight

  • 285.813
 
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Names and Synonyms

Synonym

  • 4-Methyl-2-(2-methylpropoxy)-2-phenylmorpholine hydrochloride

Systematic Name

  • Morpholine, 4-methyl-2-(2-methylpropoxy)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 124497-86-5

System Generated Number

  • 0124497865

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO2.ClH/c1-13(2)11-18-15(12-16(3)9-10-17-15)14-7-5-4-6-8-14;/h4-8,13H,9-12H2,1-3H3;1H

InChIKey

FXOXLNFTVYGMBK-UHFFFAOYSA-N

Smiles

O1CC[N@@](C)C[C@@]1(OCC(C)C)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 220mg/kg (220mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: COMA
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 179, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.14 (none)   EXP
log P (octanol-water) 2.17 (none)   EXP
Water Solubility 3410 mg/L 25 EST
Vapor Pressure 1.16E-04 mm Hg 25 EST
Henry's Law Constant 2.77E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-10 cm3/molecule-sec 25 EST

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