ChemSpider 2D Image | (6aS)-3-Bromo-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline | C21H24BrNO4

(6aS)-3-Bromo-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

  • Molecular FormulaC21H24BrNO4
  • Average mass434.324 Da
  • Monoisotopic mass433.088867 Da
  • ChemSpider ID23314270

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6aS)-3-Brom-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]chinolin [German] [ACD/IUPAC Name]
(6aS)-3-Bromo-1,2,9,10-tétraméthoxy-6-méthyl-5,6,6a,7-tétrahydro-4H-dibenzo[de,g]quinoléine [French] [ACD/IUPAC Name]
(6aS)-3-Bromo-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline [ACD/IUPAC Name]
4H-Dibenzo[de,g]quinoline, 3-bromo-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-, (6aS)- [ACD/Index Name]
(S)-3-bromo-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CHEMBL403032
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403032/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 351.33
ACD/KOC (pH 5.5): 1456.64
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1695.54
ACD/KOC (pH 7.4): 7029.81
Polar Surface Area: 40 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 321.0±3.0 cm3

Click to predict properties on the Chemicalize site


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