ChemSpider 2D Image | 3-[1-(3,4-Dimethoxyphenyl)-2-methylpropyl]-1-(2-methoxyethyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]urea | C26H43N3O4

3-[1-(3,4-Dimethoxyphenyl)-2-methylpropyl]-1-(2-methoxyethyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]urea

  • Molecular FormulaC26H43N3O4
  • Average mass461.637 Da
  • Monoisotopic mass461.325348 Da
  • ChemSpider ID60596552

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-[1-(3,4-Dimethoxyphenyl)-2-methylpropyl]-1-(2-methoxyethyl)-1-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]harnstoff [German] [ACD/IUPAC Name]
3-[1-(3,4-Dimethoxyphenyl)-2-methylpropyl]-1-(2-methoxyethyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]urea [ACD/IUPAC Name]
3-[1-(3,4-Diméthoxyphényl)-2-méthylpropyl]-1-(2-méthoxyéthyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-methoxyethyl)-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
N'-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]urea

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 12.02
Polar Surface Area: 63 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 415.6±5.0 cm3

Click to predict properties on the Chemicalize site


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