ChemSpider 2D Image | Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate | C16H21NO5

Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID26546254

More details:

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

1017781-46-2 [RN]
3-[2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)phényl]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate
Ethyl 3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-3-oxopropanoat [German] [ACD/IUPAC Name]
[1017781-46-2] [RN]
3-(2-TERT-BUTOXYCARBONYLAMINO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
Ethyl 3-(2-((tert-butoxycarbonyl)amino)phenyl)-3-oxopropanoate
ETHYL 3-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}PHENYL)-3-OXOPROPANOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 372.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±3.0 kJ/mol
    Flash Point: 178.9±22.3 °C
    Index of Refraction: 1.535
    Molar Refractivity: 81.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 214.34
    ACD/KOC (pH 5.5): 1622.60
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 214.06
    ACD/KOC (pH 7.4): 1620.50
    Polar Surface Area: 82 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 263.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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