ChemSpider 2D Image | 4-({[4-(Benzyloxy)-3,5-dibromobenzyl]amino}methyl)benzoic acid | C22H19Br2NO3

4-({[4-(Benzyloxy)-3,5-dibromobenzyl]amino}methyl)benzoic acid

  • Molecular FormulaC22H19Br2NO3
  • Average mass505.199 Da
  • Monoisotopic mass502.973145 Da
  • ChemSpider ID11870616

More details:

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

4-({[4-(Benzyloxy)-3,5-dibrombenzyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
4-({[4-(Benzyloxy)-3,5-dibromobenzyl]amino}methyl)benzoic acid [ACD/IUPAC Name]
Acide 4-({[4-(benzyloxy)-3,5-dibromobenzyl]amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[3,5-dibromo-4-(phenylmethoxy)phenyl]methyl]amino]methyl]- [ACD/Index Name]
4-(((4-(benzyloxy)-3,5-dibromobenzyl)amino)methyl)benzoic acid
4-[({[4-(benzyloxy)-3,5-dibromophenyl]methyl}amino)methyl]benzoic acid
4-[[(3,5-dibromo-4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate
940356-41-2 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 611.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 323.4±31.5 °C
    Index of Refraction: 1.651
    Molar Refractivity: 117.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.76
    ACD/LogD (pH 5.5): 3.48
    ACD/BCF (pH 5.5): 65.54
    ACD/KOC (pH 5.5): 136.83
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 57.05
    ACD/KOC (pH 7.4): 119.10
    Polar Surface Area: 59 Å2
    Polarizability: 46.5±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 321.4±3.0 cm3

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