ChemSpider 2D Image | 3,3'-[1,4-Phenylenebis(oxy)]bis[1-(2,2,7-trimethyl-5-azatricyclo[5.2.0.0~1,3~]non-5-yl)-2-propanol] | C34H52N2O4

3,3'-[1,4-Phenylenebis(oxy)]bis[1-(2,2,7-trimethyl-5-azatricyclo[5.2.0.01,3]non-5-yl)-2-propanol]

  • Molecular FormulaC34H52N2O4
  • Average mass552.788 Da
  • Monoisotopic mass552.392700 Da
  • ChemSpider ID2128755

More details:

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

3,3'-[1,4-Phenylenbis(oxy)]bis[1-(2,2,7-trimethyl-5-azatricyclo[5.2.0.01,3]non-5-yl)-2-propanol] [German] [ACD/IUPAC Name]
3,3'-[1,4-Phenylenebis(oxy)]bis[1-(2,2,7-trimethyl-5-azatricyclo[5.2.0.01,3]non-5-yl)-2-propanol] [ACD/IUPAC Name]
3,3'-[1,4-Phénylènebis(oxy)]bis[1-(2,2,7-triméthyl-5-azatricyclo[5.2.0.01,3]non-5-yl)-2-propanol] [French] [ACD/IUPAC Name]
5-Azatricyclo[5.2.0.01,3]nonane-5-ethanol, α,α'-[1,4-phenylenebis(oxymethylene)]bis[2,2,7-trimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 5.80
ACD/KOC (pH 5.5): 8.39
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 23.69
ACD/KOC (pH 7.4): 34.22
Polar Surface Area: 65 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

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