ChemSpider 2D Image | (7aR)-10,11-Dimethoxy-7-(~2~H_3_)methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline | C20H18D3NO4

(7aR)-10,11-Dimethoxy-7-(2H3)methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline

  • Molecular FormulaC20H18D3NO4
  • Average mass342.404 Da
  • Monoisotopic mass342.165894 Da
  • ChemSpider ID58781607

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7aR)-10,11-Dimethoxy-7-(2H3)methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]chinolin [German] [ACD/IUPAC Name]
(7aR)-10,11-Diméthoxy-7-(2H3)méthyl-6,7,7a,8-tétrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoléine [French] [ACD/IUPAC Name]
(7aR)-10,11-Dimethoxy-7-(2H3)methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline [ACD/IUPAC Name]
5H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-(methyl-d3)-, (7aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 142.7±25.9 °C
Index of Refraction: 1.616
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 33.27
ACD/KOC (pH 5.5): 198.37
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 421.77
ACD/KOC (pH 7.4): 2514.76
Polar Surface Area: 40 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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