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Substance Name: Morpholine, 3,4-dimethyl-2-ethoxy-2-phenyl-, hydrochloride
RN: 124497-83-2
InChIKey: ZZYJIQMXACETTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Weight

  • 271.786
 
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Names and Synonyms

Synonym

  • 3,4-Dimethyl-2-ethoxy-2-phenylmorpholine hydrochloride

Systematic Name

  • Morpholine, 3,4-dimethyl-2-ethoxy-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 124497-83-2

System Generated Number

  • 0124497832

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.ClH/c1-4-16-14(13-8-6-5-7-9-13)12(2)15(3)10-11-17-14;/h5-9,12H,4,10-11H2,1-3H3;1H

InChIKey

ZZYJIQMXACETTK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 190mg/kg (190mg/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 7.79 (none)   EXP
log P (octanol-water) 2.27 (none)   EXP
Water Solubility 3340 mg/L 25 EST
Vapor Pressure 2.46E-04 mm Hg 25 EST
Henry's Law Constant 2.09E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-10 cm3/molecule-sec 25 EST

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