ChemSpider 2D Image | tert-butyl 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylate | C17H23N3O2

tert-butyl 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylate

  • Molecular FormulaC17H23N3O2
  • Average mass301.383 Da
  • Monoisotopic mass301.179016 Da
  • ChemSpider ID11528353

More details:

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

1,1-Dimethylethyl 4-[(3-cyanophenyl)methyl]-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-[(3-cyanophenyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
203047-35-2 [RN]
2-Methyl-2-propanyl 4-(3-cyanobenzyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-cyanbenzyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-Cyanobenzyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylate
MFCD16620852
TERT-BUTYL 4-(3-CYANOBENZYL)PIPERAZINE-1-CARBOXYLATE

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

    Density: 1.2±0.0 g/cm3
    Boiling Point: 416.4±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±0.0 kJ/mol
    Flash Point: 205.6±0.0 °C
    Index of Refraction: 1.566
    Molar Refractivity: 85.2±0.0 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 8.60
    ACD/KOC (pH 5.5): 133.90
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 16.78
    ACD/KOC (pH 7.4): 261.06
    Polar Surface Area: 57 Å2
    Polarizability: 33.8±0.0 10-24cm3
    Surface Tension: 50.5±0.0 dyne/cm
    Molar Volume: 261.4±0.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement