ChemSpider 2D Image | 1,1'-Bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H-11,11'-binaphtho[2,3-b]azepine | C30H28N2O4S2

1,1'-Bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H-11,11'-binaphtho[2,3-b]azepine

  • Molecular FormulaC30H28N2O4S2
  • Average mass544.684 Da
  • Monoisotopic mass544.149048 Da
  • ChemSpider ID30659369

More details:

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

1,1'-Bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H-11,11'-binaphtho[2,3-b]azepin [German] [ACD/IUPAC Name]
1,1'-Bis(methylsulfonyl)-2,2',5,5'-tetrahydro-1H,1'H-11,11'-binaphtho[2,3-b]azepine [ACD/IUPAC Name]
1,1'-Bis(méthylsulfonyl)-2,2',5,5'-tétrahydro-1H,1'H-11,11'-binaphto[2,3-b]azépine [French] [ACD/IUPAC Name]
11,11'-Bi-1H-naphth[2,3-b]azepine, 2,2',5,5'-tetrahydro-1,1'-bis(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.5±35.7 °C
Index of Refraction: 1.752
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11005.08
ACD/KOC (pH 5.5): 27199.52
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11005.08
ACD/KOC (pH 7.4): 27199.52
Polar Surface Area: 92 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 377.2±5.0 cm3

Click to predict properties on the Chemicalize site


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