ChemSpider 2D Image | tert-Butyl 3-(6-chloropyridin-3-yl)azetidine-1-carboxylate | C13H17ClN2O2

tert-Butyl 3-(6-chloropyridin-3-yl)azetidine-1-carboxylate

  • Molecular FormulaC13H17ClN2O2
  • Average mass268.739 Da
  • Monoisotopic mass268.097870 Da
  • ChemSpider ID26527470

More details:

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

1-Azetidinecarboxylic acid, 3-(6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(6-chloro-3-pyridinyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(6-chlor-3-pyridinyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(6-Chloro-3-pyridinyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
870689-19-3 [RN]
tert-Butyl 3-(6-chloropyridin-3-yl)azetidine-1-carboxylate
MFCD20528757

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 370.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 177.7±27.9 °C
    Index of Refraction: 1.550
    Molar Refractivity: 69.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.60
    ACD/KOC (pH 5.5): 633.43
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.60
    ACD/KOC (pH 7.4): 633.43
    Polar Surface Area: 42 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 218.6±3.0 cm3

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