ChemSpider 2D Image | 3-([3-(2,3-Dimethyl-1H-indol-1-yl)-2-hydroxypropyl]{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1-propanol | C31H45N3O5

3-([3-(2,3-Dimethyl-1H-indol-1-yl)-2-hydroxypropyl]{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1-propanol

  • Molecular FormulaC31H45N3O5
  • Average mass539.706 Da
  • Monoisotopic mass539.335938 Da
  • ChemSpider ID113557568

More details:

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

1H-Indole-1-ethanol, α-[[[[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]methyl](3-hydroxypropyl)amino]methyl]-2,3-dimethyl- [ACD/Index Name]
3-([3-(2,3-Dimethyl-1H-indol-1-yl)-2-hydroxypropyl]{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1-propanol [German] [ACD/IUPAC Name]
3-([3-(2,3-Dimethyl-1H-indol-1-yl)-2-hydroxypropyl]{3-ethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1-propanol [ACD/IUPAC Name]
3-([3-(2,3-Diméthyl-1H-indol-1-yl)-2-hydroxypropyl]{3-éthoxy-4-[2-(4-morpholinyl)éthoxy]benzyl}amino)-1-propanol [French] [ACD/IUPAC 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: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.0±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 115.72
ACD/KOC (pH 7.4): 870.28
Polar Surface Area: 80 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 460.6±7.0 cm3

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