ChemSpider 2D Image | AC-262536 | C18H18N2O

AC-262536

  • Molecular FormulaC18H18N2O
  • Average mass278.348 Da
  • Monoisotopic mass278.141907 Da
  • ChemSpider ID31129035

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Naphthalenecarbonitrile, 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthonitril [German] [ACD/IUPAC Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthonitrile [ACD/IUPAC Name]
4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphtonitrile [French] [ACD/IUPAC Name]
870888-46-3 [RN]
AC-262536
4-(3-endo-Hydroxy-8-azabicyclo(3.2.1)oct-8-yl)naphthalene-1-carbonitrile
4-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
871032-12-1 [RN]
MFCD24386408
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 526.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 271.9±28.7 °C
    Index of Refraction: 1.688
    Molar Refractivity: 82.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 135.65
    ACD/KOC (pH 5.5): 1142.01
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 147.31
    ACD/KOC (pH 7.4): 1240.22
    Polar Surface Area: 47 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 65.1±5.0 dyne/cm
    Molar Volume: 216.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement