ChemSpider 2D Image | 1-BOC-3-(4-NITROPHENOXYMETHYL)AZETIDINE | C15H20N2O5

1-BOC-3-(4-NITROPHENOXYMETHYL)AZETIDINE

  • Molecular FormulaC15H20N2O5
  • Average mass308.330 Da
  • Monoisotopic mass308.137207 Da
  • ChemSpider ID28567516

More details:

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

1355248-07-5 [RN]
1-Azetidinecarboxylic acid, 3-[(4-nitrophenoxy)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1-BOC-3-(4-NITROPHENOXYMETHYL)AZETIDINE
2-Methyl-2-propanyl 3-[(4-nitrophenoxy)methyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-nitrophenoxy)methyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Nitrophénoxy)méthyl]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1355248-07-5] [RN]
MFCD21333098
SH-5262
tert-butyl 3-((4-nitrophenoxy)methyl)azetidine-1-carboxylate
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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: 439.3±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 219.5±20.4 °C
    Index of Refraction: 1.549
    Molar Refractivity: 79.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.55
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 88.83
    ACD/KOC (pH 5.5): 863.77
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 88.83
    ACD/KOC (pH 7.4): 863.77
    Polar Surface Area: 85 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 250.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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