ChemSpider 2D Image | 1-BOC-3-(2,3-DICHLOROPHENYL)PIPERAZINE | C15H20Cl2N2O2

1-BOC-3-(2,3-DICHLOROPHENYL)PIPERAZINE

  • Molecular FormulaC15H20Cl2N2O2
  • Average mass331.237 Da
  • Monoisotopic mass330.090179 Da
  • ChemSpider ID28567676

More details:

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

1-BOC-3-(2,3-DICHLOROPHENYL)PIPERAZINE
1-Piperazinecarboxylic acid, 3-(2,3-dichlorophenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2,3-dichlorophenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2,3-dichlorphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
3-(2,3-Dichlorophényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
886769-00-2 [RN]
[886769-00-2] [RN]
39959-68-7 [RN]
MFCD08686118 [MDL number]
tert-butyl 3-(2,3-dichlorophenyl)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: 409.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 201.3±28.7 °C
    Index of Refraction: 1.541
    Molar Refractivity: 84.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.24
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 12.60
    ACD/KOC (pH 5.5): 75.87
    ACD/LogD (pH 7.4): 3.66
    ACD/BCF (pH 7.4): 323.71
    ACD/KOC (pH 7.4): 1949.69
    Polar Surface Area: 42 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 268.8±3.0 cm3

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