ChemSpider 2D Image | Methyl 3-amino(~2~H_4_)benzoate | C8H5D4NO2

Methyl 3-amino(2H4)benzoate

  • Molecular FormulaC8H5D4NO2
  • Average mass155.187 Da
  • Monoisotopic mass155.088440 Da
  • ChemSpider ID24533773

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Amino(2H4)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-amino-, methyl ester [ACD/Index Name]
Methyl 3-amino(2H4)benzoate [ACD/IUPAC Name]
Methyl-3-amino(2H4)benzoat [German] [ACD/IUPAC Name]
3-Aminobenzoic acid methyl ester
3-AMINOBENZOIC-D4 ACID METHYL ESTER
911132-57-5 [RN]
Methyl 3-Aminobenzoate-2,4,5,6-d4
Methyl 3-AMinobenzoate--d4
MFCD16039484

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 281.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 140.4±17.4 °C
    Index of Refraction: 1.566
    Molar Refractivity: 42.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.63
    ACD/KOC (pH 5.5): 134.45
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.69
    ACD/KOC (pH 7.4): 135.62
    Polar Surface Area: 52 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 129.6±3.0 cm3

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