ChemSpider 2D Image | (6aR)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline | C20H21NO4

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

  • Molecular FormulaC20H21NO4
  • Average mass339.385 Da
  • Monoisotopic mass339.147064 Da
  • ChemSpider ID34235646

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6aR)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]chinolin [German] [ACD/IUPAC Name]
(6aR)-1,2-Diméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoléine [French] [ACD/IUPAC Name]
(6aR)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline [ACD/IUPAC Name]
4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (6aR)- [ACD/Index Name]
2565-01-7 [RN]
4H-Benzo[de][1,3]benzodioxolo[5,6-g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (6aS)- [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: 487.5±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: 145.2±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): 2.69
ACD/BCF (pH 5.5): 34.04
ACD/KOC (pH 5.5): 201.65
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 431.55
ACD/KOC (pH 7.4): 2556.36
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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