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Substance Name: 1-Chloroamitriptyline
RN: 52845-72-4
InChIKey: CMGZPJIHOZMOKL-LICLKQGHSA-N

Molecular Weight

  • 311.8538
 
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Names and Synonyms

Name of Substance

  • 1-Chloroamitriptyline

Synonyms

  • 1-Chloramitriptyline
  • Ro 4-4318

Systematic Name

  • 3-(1-Chloro-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethylpropylamine

Registry Numbers

CAS Registry Number

  • 52845-72-4

System Generated Number

  • 0052845724

Structure Descriptors

InChI

1S/C20H22ClN/c1-22(2)14-6-10-17-16-8-4-3-7-15(16)12-13-19-18(17)9-5-11-20(19)21/h3-5,7-11H,6,12-14H2,1-2H3/b17-10+

InChIKey

CMGZPJIHOZMOKL-LICLKQGHSA-N

Smiles

CN(C)CC\C=C\1/c2ccccc2CCc3c(Cl)cccc13

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.55 (none)   EXP
Water Solubility 0.151 mg/L 25 EST
Vapor Pressure 4.73E-07 mm Hg 25 EST
Henry's Law Constant 5.08E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

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