ChemSpider 2D Image | angustifoline | C14H22N2O

angustifoline

  • Molecular FormulaC14H22N2O
  • Average mass234.337 Da
  • Monoisotopic mass234.173218 Da
  • ChemSpider ID24536360

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1S,2R,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
(2R,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-on [German] [ACD/IUPAC Name]
(2R,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one [ACD/IUPAC Name]
(2R,10S)-10-Allyl-7,11-diazatricyclo[7.3.1.02,7]tridécan-6-one [French] [ACD/IUPAC Name]
1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propen-1-yl)-, (1S,4S,11aR)-
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-4-(2-propen-1-yl)-, (4S,11aR)- [ACD/Index Name]
angustifoline
(+)-angustifoline
(2R,10S)-10-Prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
550-43-6 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 377.6±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 182.1±24.8 °C
    Index of Refraction: 1.554
    Molar Refractivity: 68.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): -1.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.05
    Polar Surface Area: 32 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 42.8±5.0 dyne/cm
    Molar Volume: 212.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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