ChemSpider 2D Image | 4-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)Benzonitrile | C14H15N3O

4-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)Benzonitrile

  • Molecular FormulaC14H15N3O
  • Average mass241.288 Da
  • Monoisotopic mass241.121506 Da
  • ChemSpider ID26403806

More details:

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

1272755-80-2 [RN]
4-(2-oxo-1,4-diazaspiro[4.4]non-3-yl)Benzonitrile
4-(3-Oxo-1,4-diazaspiro[4.4]non-2-yl)benzonitril [German] [ACD/IUPAC Name]
4-(3-Oxo-1,4-diazaspiro[4.4]non-2-yl)benzonitrile [ACD/IUPAC Name]
4-(3-Oxo-1,4-diazaspiro[4.4]non-2-yl)benzonitrile [French] [ACD/IUPAC Name]
4-(3-Oxo-1,4-diazaspiro[4.4]nonan-2-yl)benzonitrile
Benzonitrile, 4-(3-oxo-1,4-diazaspiro[4.4]non-2-yl)- [ACD/Index Name]
[1272755-80-2] [RN]
MFCD18651740 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 515.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±3.0 kJ/mol
    Flash Point: 265.7±30.1 °C
    Index of Refraction: 1.621
    Molar Refractivity: 67.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.12
    ACD/LogD (pH 5.5): 0.77
    ACD/BCF (pH 5.5): 2.24
    ACD/KOC (pH 5.5): 61.31
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 2.32
    ACD/KOC (pH 7.4): 63.49
    Polar Surface Area: 65 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 59.1±5.0 dyne/cm
    Molar Volume: 190.7±5.0 cm3

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