ChemSpider 2D Image | (6,6,7,7-~2~H_4_)Abieta-8,11,13-trien-18-amine | C20H27D4N

(6,6,7,7-2H4)Abieta-8,11,13-trien-18-amine

  • Molecular FormulaC20H27D4N
  • Average mass289.491 Da
  • Monoisotopic mass289.270752 Da
  • ChemSpider ID58780851

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6,6,7,7-2H4)Abieta-8,11,13-trien-18-amin [German] [ACD/IUPAC Name]
(6,6,7,7-2H4)Abieta-8,11,13-trien-18-amine [ACD/IUPAC Name]
(6,6,7,7-2H4)Abiéta-8,11,13-trién-18-amine [French] [ACD/IUPAC Name]
Phenanthrene-9,10-d2-1-methanamine, 1,2,3,4,4a,9,10,10a-octahydro-9,10-d2-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- [ACD/Index Name]
1217852-11-3 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 382.9±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 156.7±9.1 °C
    Index of Refraction: 1.528
    Molar Refractivity: 91.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.40
    ACD/LogD (pH 5.5): 2.87
    ACD/BCF (pH 5.5): 16.25
    ACD/KOC (pH 5.5): 33.95
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 52.37
    ACD/KOC (pH 7.4): 109.42
    Polar Surface Area: 26 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 38.3±3.0 dyne/cm
    Molar Volume: 296.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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