ChemSpider 2D Image | Methyl 3-allyl-2-aminobenzoate | C11H13NO2

Methyl 3-allyl-2-aminobenzoate

  • Molecular FormulaC11H13NO2
  • Average mass191.226 Da
  • Monoisotopic mass191.094635 Da
  • ChemSpider ID21413179

More details:

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

3-Allyl-2-aminobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-3-(2-propen-1-yl)-, methyl ester [ACD/Index Name]
Methyl 3-allyl-2-aminobenzoate [ACD/IUPAC Name]
Methyl-3-allyl-2-aminobenzoat [German] [ACD/IUPAC Name]
[154490-96-7] [RN]
154490-96-7 [RN]
Benzoic acid, 2-amino-3-(2-propenyl)-, methyl ester (9CI)
METHYL 2-AMINO-3-(PROP-2-EN-1-YL)BENZOATE
methyl3-allyl-2-aminobenzoate
MFCD13562933 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 306.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.7±3.0 kJ/mol
    Flash Point: 161.1±22.1 °C
    Index of Refraction: 1.559
    Molar Refractivity: 56.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 74.92
    ACD/KOC (pH 5.5): 764.26
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 75.04
    ACD/KOC (pH 7.4): 765.49
    Polar Surface Area: 52 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 174.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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