ChemSpider 2D Image | Ethyl 1-(3-bromo-2-cyanophenyl)-4-piperidinecarboxylate | C15H17BrN2O2

Ethyl 1-(3-bromo-2-cyanophenyl)-4-piperidinecarboxylate

  • Molecular FormulaC15H17BrN2O2
  • Average mass337.212 Da
  • Monoisotopic mass336.047333 Da
  • ChemSpider ID31036356

More details:

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

1-(3-Bromo-2-cyanophényl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1260897-03-7 [RN]
4-Piperidinecarboxylic acid, 1-(3-bromo-2-cyanophenyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-bromo-2-cyanophenyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl 1-(3-bromo-2-cyanophenyl)piperidine-4-carboxylate
Ethyl-1-(3-brom-2-cyanphenyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
MFCD11041629
OT-2056

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 465.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.7±3.0 kJ/mol
    Flash Point: 235.1±28.7 °C
    Index of Refraction: 1.593
    Molar Refractivity: 79.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 212.90
    ACD/KOC (pH 5.5): 1614.76
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 212.92
    ACD/KOC (pH 7.4): 1614.89
    Polar Surface Area: 53 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 55.6±5.0 dyne/cm
    Molar Volume: 235.5±5.0 cm3

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