ChemSpider 2D Image | tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate | C11H17NO3

tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID24534450

More details:

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

1181816-12-5 [RN]
MFCD15071430 [MDL number]
tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
[1181816-12-5] [RN]
1-(6H-phenanthridin-5-yl)ethanone
1147557-97-8 [RN]
118181-61-6 [RN]
2-Boc-6-Oxo-2-azaspiro[3.3]heptane
2-Boc-6-oxo-2-azaspiro[3.4]octane
2-Methyl-2-propanyl6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 314.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.1±27.9 °C
    Index of Refraction: 1.518
    Molar Refractivity: 54.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.45
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.51
    ACD/KOC (pH 5.5): 67.31
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 2.51
    ACD/KOC (pH 7.4): 67.31
    Polar Surface Area: 47 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 42.4±5.0 dyne/cm
    Molar Volume: 180.8±5.0 cm3

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