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Substance Name: Carbamic acid, (3-(hexyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride
RN: 55792-19-3
InChIKey: XJIPTXOGXDLVDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Weight

  • 384.945
 
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Names and Synonyms

Synonym

  • (3-(Hexyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Systematic Name

  • Carbamic acid, (3-(hexyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 55792-19-3

System Generated Number

  • 0055792193

Molecular Formulas

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Formula Fragments

  • C20-H32-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H32N2O3.ClH/c1-2-3-4-8-15-24-19-11-9-10-18(17-19)21-20(23)25-16-14-22-12-6-5-7-13-22;/h9-11,17H,2-8,12-16H2,1H3,(H,21,23);1H

InChIKey

XJIPTXOGXDLVDY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)OCCCCCC)NC(OCC[NH+]1CCCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 91mg/kg (91mg/kg)   Acta Facultatis Pharmaceuticae, Universitatis Comenianae. Vol. 29, Pg. 53, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.51 (none)   EXP
Water Solubility 1.270 mg/L 25 EST
Vapor Pressure 5.03E-08 mm Hg 25 EST
Henry's Law Constant 3.62E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.23E-10 cm3/molecule-sec 25 EST

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