ChemSpider 2D Image | tert-Butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate | C11H16N2O3

tert-Butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate

  • Molecular FormulaC11H16N2O3
  • Average mass224.256 Da
  • Monoisotopic mass224.116089 Da
  • ChemSpider ID26546231

More details:

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

1-Azetidinecarboxylic acid, 3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(cyanoacetyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(cyanacetyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(2-Cyanoacétyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-(2-Cyano-acetyl)-azetidine-1-carboxylic acid tert-butyl ester
887594-13-0 [RN]
tert-Butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate
1-AZETIDINECARBOXYLICACID, 3-(2-CYANOACETYL)-, 1,1-DIMETHYLETHYL ESTER
1-Boc-3-(2-cyanoacetyl)azetidine
1-Boc-3-(2-cyano-acetyl)-azetidine
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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: 331.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 154.5±25.1 °C
    Index of Refraction: 1.500
    Molar Refractivity: 56.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.21
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 45.84
    ACD/LogD (pH 7.4): 0.51
    ACD/BCF (pH 7.4): 1.41
    ACD/KOC (pH 7.4): 44.13
    Polar Surface Area: 70 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 190.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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