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Substance Name: Morpholine, 4-methyl-2-phenyl-2-(2-propynyloxy)-, hydrrochloride
RN: 124497-82-1
InChIKey: IKVPKVIYHXZKMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O2.Cl-H

Molecular Weight

  • 267.754
 
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Names and Synonyms

Synonym

  • 4-Methyl-2-phenyl-2-(2-propynyloxy)morpholine hydrochloride

Systematic Name

  • Morpholine, 4-methyl-2-phenyl-2-(2-propynyloxy)-, hydrrochloride

Registry Numbers

CAS Registry Number

  • 124497-82-1

System Generated Number

  • 0124497821

Molecular Formulas

Molecular Formula

  • C14-H17-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H17-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H17NO2.ClH/c1-3-10-16-14(12-15(2)9-11-17-14)13-7-5-4-6-8-13;/h1,4-8H,9-12H2,2H3;1H

InChIKey

IKVPKVIYHXZKMK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 140mg/kg (140mg/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 6.86 (none)   EXP
log P (octanol-water) 1.87 (none)   EXP
Water Solubility 7720 mg/L 25 EST
Vapor Pressure 1.03E-04 mm Hg 25 EST
Henry's Law Constant 2.59E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-10 cm3/molecule-sec 25 EST

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