ChemSpider 2D Image | 8-Chloro-11-[4-methyl(~2~H_8_)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine | C18H11D8ClN4

8-Chloro-11-[4-methyl(2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine

  • Molecular FormulaC18H11D8ClN4
  • Average mass334.873 Da
  • Monoisotopic mass334.180023 Da
  • ChemSpider ID23935713

  • Non-standard isotope - Non-standard isotope

More details:

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

5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)- [ACD/Index Name]
8-Chlor-11-[4-methyl(2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepin [German] [ACD/IUPAC Name]
8-Chloro-11-[4-methyl(2H8)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine [ACD/IUPAC Name]
8-Chloro-11-[4-méthyl(2H8)-1-pipérazinyl]-5H-dibenzo[b,e][1,4]diazépine [French] [ACD/IUPAC Name]
[1185053-50-2] [RN]
1185053-50-2 [RN]
5786-21-0 [RN]
Clozapine - d8
CLOZAPINE-D8
HP1750000 (Non-deuterated version)
More...

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

UN2811 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 100 mM in ethanol and to 100 mM in DMSO and to 50 mM in 2eq.HCl with gentle warming Tocris Bioscience 5530
  • Miscellaneous

    • Bio Activity:

      Deuterated clozapine (Cat. No. 0444) Tocris Bioscience 5530
      Deuterated clozapine (Cat. No. 0444). Tocris Bioscience 5530
      Deuterated clozapine. Clozapine also available. Tocris Bioscience 5530
      Reagents Tocris Bioscience 5530
      Stable Isotopically Labeled Compounds Tocris Bioscience 5530

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 54.85
ACD/KOC (pH 7.4): 471.93
Polar Surface Area: 31 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 247.7±7.0 cm3

Click to predict properties on the Chemicalize site


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