ChemSpider 2D Image | tert-butyl 9-cyano-3-azaspiro[5.5]undecane-3-carboxylate | C16H26N2O2

tert-butyl 9-cyano-3-azaspiro[5.5]undecane-3-carboxylate

  • Molecular FormulaC16H26N2O2
  • Average mass278.390 Da
  • Monoisotopic mass278.199432 Da
  • ChemSpider ID26470990

More details:

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

1281872-59-0 [RN]
2-Methyl-2-propanyl 9-cyano-3-azaspiro[5.5]undecane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-9-cyan-3-azaspiro[5.5]undecan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azaspiro[5.5]undecane-3-carboxylic acid, 9-cyano-, 1,1-dimethylethyl ester [ACD/Index Name]
9-Cyano-3-azaspiro[5.5]undécane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 9-cyano-3-azaspiro[5.5]undecane-3-carboxylate
CE-0240
MFCD18426549 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 411.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.6±28.7 °C
    Index of Refraction: 1.511
    Molar Refractivity: 77.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 220.92
    ACD/KOC (pH 5.5): 1658.09
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 220.92
    ACD/KOC (pH 7.4): 1658.09
    Polar Surface Area: 53 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 259.6±5.0 cm3

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