ChemSpider 2D Image | Methyl 3-[2-(4-benzyl-1-piperazinyl)ethoxy]benzoate | C21H26N2O3

Methyl 3-[2-(4-benzyl-1-piperazinyl)ethoxy]benzoate

  • Molecular FormulaC21H26N2O3
  • Average mass354.443 Da
  • Monoisotopic mass354.194336 Da
  • ChemSpider ID25076878

More details:

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

1203898-15-0 [RN]
3-[2-(4-Benzyl-1-pipérazinyl)éthoxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]-, methyl ester [ACD/Index Name]
Methyl 3-[2-(4-benzyl-1-piperazinyl)ethoxy]benzoate [ACD/IUPAC Name]
methyl 3-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoate
Methyl 3-[2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]benzoate
Methyl-3-[2-(4-benzyl-1-piperazinyl)ethoxy]benzoat [German] [ACD/IUPAC Name]
methyl 3-(2-(4-benzylpiperazin-1-yl)ethoxy)benzoate
methyl 3-[2-(4-benzylpiperazino)ethoxy]benzenecarboxylate
Methyl 3-[2-(4-benzylpiperazino)ethoxy]-benzenecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 490.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.7±3.0 kJ/mol
    Flash Point: 250.6±27.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 102.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 6.82
    ACD/KOC (pH 5.5): 52.24
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 149.46
    ACD/KOC (pH 7.4): 1145.25
    Polar Surface Area: 42 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 310.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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