ChemSpider 2D Image | N-{[5-(2-Fluorophenyl)-2-furyl]methyl}-beta-alanine | C14H14FNO3

N-{[5-(2-Fluorophenyl)-2-furyl]methyl}-β-alanine

  • Molecular FormulaC14H14FNO3
  • Average mass263.264 Da
  • Monoisotopic mass263.095764 Da
  • ChemSpider ID24797572

More details:

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

N-{[5-(2-Fluorophenyl)-2-furyl]methyl}-β-alanine [ACD/IUPAC Name]
N-{[5-(2-Fluorophényl)-2-furyl]méthyl}-β-alanine [French] [ACD/IUPAC Name]
N-{[5-(2-Fluorphenyl)-2-furyl]methyl}-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-[[5-(2-fluorophenyl)-2-furanyl]methyl]- [ACD/Index Name]
1239787-20-2 [RN]
3-(((5-(2-fluorophenyl)furan-2-yl)methyl)amino)propanoic acid
3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propanoic acid
3-{[5-(2-Fluoro-phenyl)-furan-2-ylmethyl]-amino}-propionic acid
AGN-PC-09CLGV
AKOS015971736
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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: 411.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 202.8±28.7 °C
    Index of Refraction: 1.549
    Molar Refractivity: 67.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.47
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.41
    Polar Surface Area: 62 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 211.0±3.0 cm3

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