ChemSpider 2D Image | (7alpha)-3,4,5,6-Tetradehydrospartein-2-one | C15H20N2O

(7α)-3,4,5,6-Tetradehydrospartein-2-one

  • Molecular FormulaC15H20N2O
  • Average mass244.332 Da
  • Monoisotopic mass244.157562 Da
  • ChemSpider ID60599375

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(7α)-3,4,5,6-Tetradehydrospartein-2-on [German] [ACD/IUPAC Name]
(7α)-3,4,5,6-Tetradehydrospartein-2-one [ACD/IUPAC Name]
(7α)-3,4,5,6-Tétradéhydrospartéin-2-one [French] [ACD/IUPAC Name]
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, 1,3,4,6,7,13,14,14a-octahydro-, (7R,14aS)- [ACD/Index Name]
486-90-8 [RN]
890936-69-3 [RN]
Thermopsine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 455.6±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 216.3±18.0 °C
    Index of Refraction: 1.628
    Molar Refractivity: 70.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): -1.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.17
    Polar Surface Area: 24 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 199.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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