ChemSpider 2D Image | Dehydrocavidine | C21H21NO4

Dehydrocavidine

  • Molecular FormulaC21H21NO4
  • Average mass351.396 Da
  • Monoisotopic mass351.147064 Da
  • ChemSpider ID29271989

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,6aR)-8,9-Dimethoxy-6-methyl-6,14-dihydro-6aH-[1,3]dioxolo[4,5-h]isochinolino[2,1-b]isochinolin [German] [ACD/IUPAC Name]
(6S,6aR)-8,9-Diméthoxy-6-méthyl-6,14-dihydro-6aH-[1,3]dioxolo[4,5-h]isoquinoléino[2,1-b]isoquinoléine [French] [ACD/IUPAC Name]
(6S,6aR)-8,9-Dimethoxy-6-methyl-6,14-dihydro-6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinoline [ACD/IUPAC Name]
14H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizine, 6,6a-dihydro-8,9-dimethoxy-6-methyl-, (6S,6aR)- [ACD/Index Name]
83218-34-2 [RN]
Dehydrocavidine
(6S,6aR)-8,9-dimethoxy-6-methyl-6,6a-dihydro-14H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinoline
[83218-34-2] [RN]
167275-47-0 [RN]
Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizin-13-ium,8,9-dimethoxy-6-methyl-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 506.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.6±3.0 kJ/mol
    Flash Point: 149.9±27.3 °C
    Index of Refraction: 1.663
    Molar Refractivity: 97.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 4.50
    ACD/BCF (pH 5.5): 1540.16
    ACD/KOC (pH 5.5): 6618.88
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1570.94
    ACD/KOC (pH 7.4): 6751.13
    Polar Surface Area: 40 Å2
    Polarizability: 38.7±0.5 10-24cm3
    Surface Tension: 58.8±5.0 dyne/cm
    Molar Volume: 263.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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