ChemSpider 2D Image | 4-Oxo-4-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]butanoic acid | C18H26N2O6

4-Oxo-4-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]butanoic acid

  • Molecular FormulaC18H26N2O6
  • Average mass366.409 Da
  • Monoisotopic mass366.179077 Da
  • ChemSpider ID21917052

More details:

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

1-Piperazinebutanoic acid, γ-oxo-4-[(2,3,4-trimethoxyphenyl)methyl]- [ACD/Index Name]
4-Oxo-4-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]butanoic acid [ACD/IUPAC Name]
4-Oxo-4-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]butanoïque [French] [ACD/IUPAC Name]
1010915-59-9 [RN]
4-oxo-4-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)butanoic acid
4-oxo-4-[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]butanoic acid
4-Oxo-4-[4-(2,3,4-trimethoxy-benzyl)-piperazin-1-yl]-butyric acid
4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butanoic acid
4-oxo-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butanoate
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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: 543.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 282.3±30.1 °C
    Index of Refraction: 1.550
    Molar Refractivity: 94.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): -0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.35
    ACD/LogD (pH 7.4): -1.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 49.7±3.0 dyne/cm
    Molar Volume: 297.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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