ChemSpider 2D Image | 6-Benzyl-1,2,3,9,10,11-hexamethoxy-6,7-dihydro-5H-dibenzo[c,e]azepine | C27H31NO6

6-Benzyl-1,2,3,9,10,11-hexamethoxy-6,7-dihydro-5H-dibenzo[c,e]azepine

  • Molecular FormulaC27H31NO6
  • Average mass465.538 Da
  • Monoisotopic mass465.215149 Da
  • ChemSpider ID26993540

More details:

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

5H-Dibenz[c,e]azepine, 6,7-dihydro-1,2,3,9,10,11-hexamethoxy-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-1,2,3,9,10,11-hexamethoxy-6,7-dihydro-5H-dibenzo[c,e]azepin [German] [ACD/IUPAC Name]
6-Benzyl-1,2,3,9,10,11-hexamethoxy-6,7-dihydro-5H-dibenzo[c,e]azepine [ACD/IUPAC Name]
6-Benzyl-1,2,3,9,10,11-hexaméthoxy-6,7-dihydro-5H-dibenzo[c,e]azépine [French] [ACD/IUPAC Name]
6-Benzyl-6,7-dihydro-1,2,3,9,10,11-hexamethoxy-5H-dibenz[c,e]azepine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 160.9±27.3 °C
Index of Refraction: 1.575
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 147.46
ACD/KOC (pH 5.5): 965.67
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.68
ACD/KOC (pH 7.4): 2296.47
Polar Surface Area: 59 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 397.2±3.0 cm3

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