ChemSpider 2D Image | Methyl 4-(4-bromophenyl)-1-piperazinecarboxylate | C12H15BrN2O2

Methyl 4-(4-bromophenyl)-1-piperazinecarboxylate

  • Molecular FormulaC12H15BrN2O2
  • Average mass299.164 Da
  • Monoisotopic mass298.031677 Da
  • ChemSpider ID26541746

More details:

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

1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester [ACD/Index Name]
4-(4-Bromophényl)-1-pipérazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
841295-69-0 [RN]
Methyl 4-(4-bromophenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
methyl 4-(4-bromophenyl)piperazine-1-carboxylate
Methyl-4-(4-bromphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
[841295-69-0] [RN]
2H-Pyran-3(4H)-one [ACD/Index Name] [ACD/IUPAC Name]
AM-2073
methyl4-(4-bromophenyl)piperazine-1-carboxylate
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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: 1.4±0.1 g/cm3
    Boiling Point: 401.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.8±27.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 33.03
    ACD/KOC (pH 5.5): 425.19
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 33.10
    ACD/KOC (pH 7.4): 426.05
    Polar Surface Area: 33 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 206.6±3.0 cm3

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