ChemSpider 2D Image | tert-Butyl 3-(nitromethylene)azetidine-1-carboxylate | C9H14N2O4

tert-Butyl 3-(nitromethylene)azetidine-1-carboxylate

  • Molecular FormulaC9H14N2O4
  • Average mass214.219 Da
  • Monoisotopic mass214.095352 Da
  • ChemSpider ID27475231

More details:

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

1379812-12-0 [RN]
1-Azetidinecarboxylic acid, 3-(nitromethylene)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(nitromethylene)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(nitromethylen)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(Nitrométhylène)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD20486581 [MDL number]
tert-Butyl 3-(nitromethylene)azetidine-1-carboxylate
tert-butyl 3-(nitromethylidene)azetidine-1-carboxylate
Chemistry 12756
tert-Butyl 3-(nitromethylene)-azetidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 325.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 150.8±25.9 °C
    Index of Refraction: 1.584
    Molar Refractivity: 54.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): 1.35
    ACD/BCF (pH 5.5): 6.26
    ACD/KOC (pH 5.5): 129.41
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.26
    ACD/KOC (pH 7.4): 129.41
    Polar Surface Area: 75 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 59.4±3.0 dyne/cm
    Molar Volume: 162.7±3.0 cm3

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