ChemSpider 2D Image | Clozapine-D4 | C18H15D4ClN4

Clozapine-D4

  • Molecular FormulaC18H15D4ClN4
  • Average mass330.848 Da
  • Monoisotopic mass330.154938 Da
  • ChemSpider ID24533607
  • Non-standard isotope - Non-standard isotope


More details:






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

200-659-6 [EINECS]
204395-52-8 [RN]
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl-2,2,6,6-d4)- [ACD/Index Name]
5H-Dibenzo[b,e][1,4]diazepine, 8-chloro-11-(4-methyl-1-piperazinyl-2,2,6,6-d4)-
8-Chlor-11-[4-methyl(2,2,6,6-2H4)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepin [German] [ACD/IUPAC Name]
8-Chloro-11-[4-methyl(2,2,6,6-2H4)-1-piperazinyl]-5H-dibenzo[b,e][1,4]diazepine [ACD/IUPAC Name]
8-Chloro-11-[4-méthyl(2,2,6,6-2H4)-1-pipérazinyl]-5H-dibenzo[b,e][1,4]diazépine [French] [ACD/IUPAC Name]
8-Chloro-11-[4-methyl(2,2,6,6-2H4)piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
Clozapine-D4
MFCD12022180
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    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

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