ChemSpider 2D Image | Ethyl 3-amino-4-[(2-hydroxy-1,1-dimethylethyl)amino]benzoate | C13H20N2O3

Ethyl 3-amino-4-[(2-hydroxy-1,1-dimethylethyl)amino]benzoate

  • Molecular FormulaC13H20N2O3
  • Average mass252.309 Da
  • Monoisotopic mass252.147400 Da
  • ChemSpider ID25076274

More details:

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

1220038-04-9 [RN]
3-Amino-4-[(1-hydroxy-2-méthyl-2-propanyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-4-[(2-hydroxy-1,1-dimethylethyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-amino-4-[(1-hydroxy-2-methyl-2-propanyl)amino]benzoate [ACD/IUPAC Name]
ethyl 3-amino-4-[(1-hydroxy-2-methylpropan-2-yl)amino]benzoate
Ethyl 3-amino-4-[(2-hydroxy-1,1-dimethylethyl)amino]benzoate
Ethyl-3-amino-4-[(1-hydroxy-2-methyl-2-propanyl)amino]benzoat [German] [ACD/IUPAC Name]
ethyl 3-amino-4-((1-hydroxy-2-methylpropan-2-yl)amino)benzoate
Ethyl 3-amino-4-[(2-hydroxy-1,1-dimethylethyl)-amino]benzoate
ethyl3-amino-4-[(2-hydroxy-1,1-dimethylethyl)-amino]benzoate
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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: 444.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 222.7±27.3 °C
    Index of Refraction: 1.591
    Molar Refractivity: 71.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.24
    ACD/KOC (pH 5.5): 228.18
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 15.31
    ACD/KOC (pH 7.4): 245.26
    Polar Surface Area: 85 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 212.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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