ChemSpider 2D Image | 1-[(4-Chlorophenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-~2~H_8_)piperazine | C17H11D8ClN2

1-[(4-Chlorophenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-2H8)piperazine

  • Molecular FormulaC17H11D8ClN2
  • Average mass294.849 Da
  • Monoisotopic mass294.173889 Da
  • ChemSpider ID48058134
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[(4-Chlorophenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-2H8)piperazine [ACD/IUPAC Name]
1-[(4-Chlorophényl)(phényl)méthyl](2,2,3,3,5,5,6,6-2H8)pipérazine [French] [ACD/IUPAC Name]
1-[(4-Chlorphenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-2H8)piperazin [German] [ACD/IUPAC Name]
Piperazine-2,2,3,3,5,5,6,6-d8, 1-[(4-chlorophenyl)phenylmethyl]- [ACD/Index Name]
1-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
1189925-23-2 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 409.1±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 193.3±26.5 °C
    Index of Refraction: 1.592
    Molar Refractivity: 83.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.59
    ACD/LogD (pH 7.4): 2.34
    ACD/BCF (pH 7.4): 15.06
    ACD/KOC (pH 7.4): 87.78
    Polar Surface Area: 15 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 247.6±3.0 cm3

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