ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5-{[3-(4-hydroxy-3-iodophenyl)propyl](methyl)amino}-2-isopropylpentanenitrile | C26H35IN2O3

2-(3,4-Dimethoxyphenyl)-5-{[3-(4-hydroxy-3-iodophenyl)propyl](methyl)amino}-2-isopropylpentanenitrile

  • Molecular FormulaC26H35IN2O3
  • Average mass550.472 Da
  • Monoisotopic mass550.169250 Da
  • ChemSpider ID25052802

More details:

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

2-(3,4-Dimethoxyphenyl)-5-{[3-(4-hydroxy-3-iodophenyl)propyl](methyl)amino}-2-isopropylpentanenitrile [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-5-{[3-(4-hydroxy-3-iodophényl)propyl](méthyl)amino}-2-isopropylpentanenitrile [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5-{[3-(4-hydroxy-3-iodphenyl)propyl](methyl)amino}-2-isopropylpentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[3-[[3-(4-hydroxy-3-iodophenyl)propyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)- [ACD/Index 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: 602.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 318.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 14.50
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 72.43
ACD/KOC (pH 7.4): 229.57
Polar Surface Area: 66 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 418.4±3.0 cm3

Click to predict properties on the Chemicalize site


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