ChemSpider 2D Image | tert-Butyl 4-(3-Cyanophenyl)piperazine-1-carboxylate | C16H21N3O2

tert-Butyl 4-(3-Cyanophenyl)piperazine-1-carboxylate

  • Molecular FormulaC16H21N3O2
  • Average mass287.357 Da
  • Monoisotopic mass287.163391 Da
  • ChemSpider ID26470991

More details:

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

1-Piperazinecarboxylic acid, 4-(3-cyanophenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-cyanophenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-cyanphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-Cyanophényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
807624-20-0 [RN]
tert-Butyl 4-(3-Cyanophenyl)piperazine-1-carboxylate
[807624-20-0] [RN]
1,1-dimethylethyl 4-(3-cyanophenyl)piperazine-1-carboxylate
4-(3-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
DA-0839
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 432.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.8±3.0 kJ/mol
    Flash Point: 215.2±27.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 80.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 61.65
    ACD/KOC (pH 5.5): 665.01
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 61.65
    ACD/KOC (pH 7.4): 665.05
    Polar Surface Area: 57 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 245.2±5.0 cm3

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