ChemSpider 2D Image | (6aS)-1,10-Dimethoxy-6-methyl-2,9-bis[(~2~H_3_)methyloxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline | C21H19D6NO4

(6aS)-1,10-Dimethoxy-6-methyl-2,9-bis[(2H3)methyloxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

  • Molecular FormulaC21H19D6NO4
  • Average mass361.465 Da
  • Monoisotopic mass361.216034 Da
  • ChemSpider ID58785103
  • 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

(6aS)-1,10-Dimethoxy-6-methyl-2,9-bis[(2H3)methyloxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin [German] [ACD/IUPAC Name]
(6aS)-1,10-Diméthoxy-6-méthyl-2,9-bis[(2H3)méthyloxy]-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine [French] [ACD/IUPAC Name]
(6aS)-1,10-Dimethoxy-6-methyl-2,9-bis[(2H3)methyloxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-2,9-bis(methyl-d3-oxy)-, (6aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 487.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 140.2±25.9 °C
Index of Refraction: 1.576
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 28.40
ACD/KOC (pH 5.5): 177.14
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 360.09
ACD/KOC (pH 7.4): 2245.64
Polar Surface Area: 40 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 304.8±3.0 cm3

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