ChemSpider 2D Image | tert-Butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate | C16H21ClN2O3

tert-Butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate

  • Molecular FormulaC16H21ClN2O3
  • Average mass324.802 Da
  • Monoisotopic mass324.124084 Da
  • ChemSpider ID25123596

More details:

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

1-Piperazinecarboxylic acid, 4-(4-chlorobenzoyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-chlorobenzoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-chlorbenzoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-Chlorobenzoyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
897445-35-1 [RN]
tert-Butyl 4-(4-chlorobenzoyl)piperazine-1-carboxylate
[897445-35-1] [RN]
4-(4-Chloro-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester
BS-5828
MFCD16620800
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 457.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±3.0 kJ/mol
    Flash Point: 230.4±27.3 °C
    Index of Refraction: 1.555
    Molar Refractivity: 84.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 77.80
    ACD/KOC (pH 5.5): 785.52
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 77.80
    ACD/KOC (pH 7.4): 785.52
    Polar Surface Area: 50 Å2
    Polarizability: 33.7±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 264.7±3.0 cm3

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