ChemSpider 2D Image | tert-Butyl 4-amino-3-methylbenzoate | C12H17NO2

tert-Butyl 4-amino-3-methylbenzoate

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID26403985

More details:

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

2-Methyl-2-propanyl 4-amino-3-methylbenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-3-methylbenzoat [German] [ACD/IUPAC Name]
4-Amino-3-méthylbenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
934481-43-3 [RN]
Benzoic acid, 4-amino-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-amino-3-methylbenzoate
[934481-43-3] [RN]
2-Hydroxy-4-methylbenzoic acid [ACD/IUPAC Name]
2-hydroxy-4-methylbenzoic acid;4-Methylsalicylic acid
777029-08-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 339.9±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 187.4±19.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 61.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 104.38
    ACD/KOC (pH 5.5): 969.32
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 104.44
    ACD/KOC (pH 7.4): 969.90
    Polar Surface Area: 52 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 195.4±3.0 cm3

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