ChemSpider 2D Image | TERT-BUTYL 3-NITROAZETIDINE-1-CARBOXYLATE | C8H14N2O4

TERT-BUTYL 3-NITROAZETIDINE-1-CARBOXYLATE

  • Molecular FormulaC8H14N2O4
  • Average mass202.208 Da
  • Monoisotopic mass202.095352 Da
  • ChemSpider ID32780227

More details:

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

1445951-55-2 [RN]
1-Azetidinecarboxylic acid, 3-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-nitro-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-nitro-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Nitro-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-NITROAZETIDINE-1-CARBOXYLATE
Chemistry 4474
MFCD25509427
tert-butyl 3-nitroazetidine-1-carboxylate(wx690240)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 292.6±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.2±3.0 kJ/mol
    Flash Point: 130.8±24.3 °C
    Index of Refraction: 1.501
    Molar Refractivity: 48.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 4.09
    ACD/KOC (pH 5.5): 94.22
    ACD/LogD (pH 7.4): 0.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.31
    Polar Surface Area: 75 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 165.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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