ChemSpider 2D Image | 12-(3-Bromopropoxy)-6,6',7-trimethoxy-2,2'-dimethylberbaman | C40H45BrN2O6

12-(3-Bromopropoxy)-6,6',7-trimethoxy-2,2'-dimethylberbaman

  • Molecular FormulaC40H45BrN2O6
  • Average mass729.699 Da
  • Monoisotopic mass728.246094 Da
  • ChemSpider ID24621879

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

12-(3-Bromopropoxy)-6,6',7-trimethoxy-2,2'-dimethylberbaman [ACD/IUPAC Name]
12-(3-Bromopropoxy)-6,6',7-triméthoxy-2,2'-diméthylberbaman [French] [ACD/IUPAC Name]
12-(3-Brompropoxy)-6,6',7-trimethoxy-2,2'-dimethylberbaman [German] [ACD/IUPAC 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: 768.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 195.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 6.74
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 2397.04
ACD/KOC (pH 7.4): 5936.99
Polar Surface Area: 62 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 577.3±3.0 cm3

Click to predict properties on the Chemicalize site


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