ChemSpider 2D Image | tert-Butyl 3-(3-chlorophenyl)piperazine-1-carboxylate | C15H21ClN2O2

tert-Butyl 3-(3-chlorophenyl)piperazine-1-carboxylate

  • Molecular FormulaC15H21ClN2O2
  • Average mass296.792 Da
  • Monoisotopic mass296.129150 Da
  • ChemSpider ID28420191

More details:

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

1-Piperazinecarboxylic acid, 3-(3-chlorophenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(3-chlorophenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-chlorphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
886767-41-5 [RN]
tert-Butyl 3-(3-chlorophenyl)piperazine-1-carboxylate
[886767-41-5] [RN]
MFCD08686004
tert-Butyl3-(3-chlorophenyl)piperazine-1-carboxylate
TERT-BUTYL-3-(3-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLATE

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 395.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±3.0 kJ/mol
    Flash Point: 193.2±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 79.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 2.06
    ACD/KOC (pH 5.5): 16.59
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 81.92
    ACD/KOC (pH 7.4): 658.40
    Polar Surface Area: 42 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 256.9±3.0 cm3

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