ChemSpider 2D Image | Ethyl 3-((tert-butoxycarbonyl)amino)-3-methylbutanoate | C12H23NO4

Ethyl 3-((tert-butoxycarbonyl)amino)-3-methylbutanoate

  • Molecular FormulaC12H23NO4
  • Average mass245.315 Da
  • Monoisotopic mass245.162704 Da
  • ChemSpider ID27457032

More details:

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

130985-42-1 [RN]
3-Méthyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, ethyl ester [ACD/Index Name]
Ethyl 3-((tert-butoxycarbonyl)amino)-3-methylbutanoate
Ethyl 3-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate [ACD/IUPAC Name]
Ethyl-3-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
3-(boc-amino)-3-methylbutanoic acid ethyl ester
DS-9681
Ethyl 3-(t-butoxycarbonylamino)-3-methylbutanoate
ethyl 3-(tert-butoxycarbonylamino)-3-methylbutanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 329.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±3.0 kJ/mol
    Flash Point: 153.1±23.2 °C
    Index of Refraction: 1.446
    Molar Refractivity: 64.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.61
    ACD/KOC (pH 5.5): 656.97
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 60.61
    ACD/KOC (pH 7.4): 656.96
    Polar Surface Area: 65 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 32.1±3.0 dyne/cm
    Molar Volume: 242.5±3.0 cm3

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