ChemSpider 2D Image | tert-Butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate | C9H16N2O5

tert-Butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate

  • Molecular FormulaC9H16N2O5
  • Average mass232.234 Da
  • Monoisotopic mass232.105927 Da
  • ChemSpider ID27473426

More details:

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

1008526-70-2 [RN]
1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-hydroxy-3-(nitromethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-hydroxy-3-(nitromethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Hydroxy-3-(nitrométhyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate
1-Boc-3-hydroxy-3-(nitromethyl)azetidine
1-boc-3-hydroxy-3-(nitromethyl)azetidine(wx640373)
3-Hydroxy-3-(nitromethyl)-1-azetidinecarboxylic acid tert-butyl ester; 3-Hydroxy-3-(nitromethyl)-azetidine-1-carboxylic acid tert-butyl ester
3-Hydroxy-3-(nitromethyl)azetidine-1-carboxylic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 362.2±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±6.0 kJ/mol
    Flash Point: 172.9±23.7 °C
    Index of Refraction: 1.522
    Molar Refractivity: 54.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.29
    ACD/KOC (pH 5.5): 41.80
    ACD/LogD (pH 7.4): 0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 28.84
    Polar Surface Area: 96 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 178.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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