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ChemSpider 2D Image | 2-HYDROXYDEMETHYLCLOMIPRAMINE | C18H21ClN2O

2-HYDROXYDEMETHYLCLOMIPRAMINE

  • Molecular FormulaC18H21ClN2O
  • Average mass316.825 Da
  • Monoisotopic mass316.134247 Da
  • ChemSpider ID34985012

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

104061-27-0 [RN]
2-HYDROXYDEMETHYLCLOMIPRAMINE
3-Chlor-5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-ol [German] [ACD/IUPAC Name]
3-Chloro-5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-ol [ACD/IUPAC Name]
3-Chloro-5-[3-(méthylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azépin-2-ol [French] [ACD/IUPAC Name]
5H-Dibenz[b,f]azepin-2-ol, 3-chloro-10,11-dihydro-5-[3-(methylamino)propyl]- [ACD/Index Name]
2-hydroxydesmethyl clomipramine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

51Z313GI3D [DBID]
UNII:51Z313GI3D [DBID]
UNII-51Z313GI3D [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 492.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 4.83
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 13.18
Polar Surface Area: 36 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 264.7±3.0 cm3

Click to predict properties on the Chemicalize site






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