ChemSpider 2D Image | 3-({4-[3-(Dimethylamino)propoxy]-3-methoxybenzyl}[3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl]amino)-1-propanol | C29H43N3O4

3-({4-[3-(Dimethylamino)propoxy]-3-methoxybenzyl}[3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl]amino)-1-propanol

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID68418774

More details:

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

1H-Indole-1-ethanol, α-[[[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl](3-hydroxypropyl)amino]methyl]-2,3-dimethyl- [ACD/Index Name]
3-({4-[3-(Dimethylamino)propoxy]-3-methoxybenzyl}[3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl]amino)-1-propanol [German] [ACD/IUPAC Name]
3-({4-[3-(Dimethylamino)propoxy]-3-methoxybenzyl}[3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl]amino)-1-propanol [ACD/IUPAC Name]
3-({4-[3-(Diméthylamino)propoxy]-3-méthoxybenzyl}[3-(2,3-diméthyl-1H-indol-1-yl)-2-hydroxypropyl]amino)-1-propanol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.3±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 9.66
Polar Surface Area: 70 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 448.9±7.0 cm3

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