ChemSpider 2D Image | 1-(5-Bromo-2-pyridinyl)azepane | C11H15BrN2

1-(5-Bromo-2-pyridinyl)azepane

  • Molecular FormulaC11H15BrN2
  • Average mass255.154 Da
  • Monoisotopic mass254.041855 Da
  • ChemSpider ID25075615

More details:

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

1-(5-Brom-2-pyridinyl)azepan [German] [ACD/IUPAC Name]
1-(5-Bromo-2-pyridinyl)azepane [ACD/IUPAC Name]
1-(5-Bromo-2-pyridinyl)azépane [French] [ACD/IUPAC Name]
1-(5-bromopyridin-2-yl)azepane
1175900-46-5 [RN]
1H-Azepine, 1-(5-bromo-2-pyridinyl)hexahydro- [ACD/Index Name]
[1175900-46-5] [RN]
MFCD11923073 [MDL number]
PY-1955

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 349.4±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 165.1±23.7 °C
    Index of Refraction: 1.564
    Molar Refractivity: 61.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.65
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 29.26
    ACD/KOC (pH 5.5): 222.23
    ACD/LogD (pH 7.4): 3.33
    ACD/BCF (pH 7.4): 196.23
    ACD/KOC (pH 7.4): 1490.23
    Polar Surface Area: 16 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 188.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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