ChemSpider 2D Image | Methyl 2-(4-benzyl-1-piperazinyl)-5-fluorobenzoate | C19H21FN2O2

Methyl 2-(4-benzyl-1-piperazinyl)-5-fluorobenzoate

  • Molecular FormulaC19H21FN2O2
  • Average mass328.381 Da
  • Monoisotopic mass328.158691 Da
  • ChemSpider ID26403666

More details:

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

1256633-30-3 [RN]
2-(4-Benzyl-1-pipérazinyl)-5-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-fluoro-2-[4-(phenylmethyl)-1-piperazinyl]-, methyl ester [ACD/Index Name]
Methyl 2-(4-benzyl-1-piperazinyl)-5-fluorobenzoate [ACD/IUPAC Name]
Methyl-2-(4-benzyl-1-piperazinyl)-5-fluorbenzoat [German] [ACD/IUPAC Name]
[1256633-30-3] [RN]
3-Benzyl-3,7-diazabicyclo[3.3.1]nonane [ACD/IUPAC Name]
3-Methyl-2-oxo-butanoic Acid
7583-53-1 [RN]
759-05-7 [RN]
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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: 461.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 232.8±28.7 °C
    Index of Refraction: 1.580
    Molar Refractivity: 91.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 50.43
    ACD/KOC (pH 5.5): 386.77
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 197.11
    ACD/KOC (pH 7.4): 1511.78
    Polar Surface Area: 33 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 273.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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