ChemSpider 2D Image | Ethyl N-[(benzyloxy)carbonyl]-N-(2-ethoxy-2-oxoethyl)-beta-alaninate | C17H23NO6

Ethyl N-[(benzyloxy)carbonyl]-N-(2-ethoxy-2-oxoethyl)-β-alaninate

  • Molecular FormulaC17H23NO6
  • Average mass337.368 Da
  • Monoisotopic mass337.152527 Da
  • ChemSpider ID26052599

More details:

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

Ethyl N-[(benzyloxy)carbonyl]-N-(2-ethoxy-2-oxoethyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(benzyloxy)carbonyl]-N-(2-ethoxy-2-oxoethyl)-β-alaninat [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-N-(2-éthoxy-2-oxoéthyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2-ethoxy-2-oxoethyl)-N-[(phenylmethoxy)carbonyl]-, ethyl ester [ACD/Index Name]
[51814-17-6] [RN]
3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propanoic acid ethyl ester
3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propionic acid ethyl ester
3-[(N-benzyloxycarbonylethoxycarbonyl)methylamino]propanoic acid ethyl ester
4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzoic acid;4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid
51814-17-6 [RN]
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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: 445.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 223.1±28.7 °C
    Index of Refraction: 1.512
    Molar Refractivity: 86.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 4.02
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 150.06
    ACD/KOC (pH 5.5): 1257.11
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 150.06
    ACD/KOC (pH 7.4): 1257.11
    Polar Surface Area: 82 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 288.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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