ChemSpider 2D Image | Benzyl 1-(2,2,3,3,5,5,6,6-~2~H_8_)piperazinecarboxylate | C12H8D8N2O2

Benzyl 1-(2,2,3,3,5,5,6,6-2H8)piperazinecarboxylate

  • Molecular FormulaC12H8D8N2O2
  • Average mass228.317 Da
  • Monoisotopic mass228.171387 Da
  • ChemSpider ID67865373

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2,2,3,3,5,5,6,6-2H8)Pipérazinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Piperazine-2,2,3,3,5,5,6,6-d8-carboxylic acid, phenylmethyl ester [ACD/Index Name]
Benzyl 1-(2,2,3,3,5,5,6,6-2H8)piperazinecarboxylate [ACD/IUPAC Name]
Benzyl-1-(2,2,3,3,5,5,6,6-2H8)piperazincarboxylat [German] [ACD/IUPAC Name]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 352.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 166.9±24.6 °C
    Index of Refraction: 1.547
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): -0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.43
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 3.91
    ACD/KOC (pH 7.4): 67.65
    Polar Surface Area: 42 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 191.9±3.0 cm3

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