ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5-{[2-(3-hydroxy-4-methoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile | C26H36N2O4

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

  • Molecular FormulaC26H36N2O4
  • Average mass440.575 Da
  • Monoisotopic mass440.267517 Da
  • ChemSpider ID35032779

More details:

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

2-(3,4-Dimethoxyphenyl)-5-{[2-(3-hydroxy-4-methoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-5-{[2-(3-hydroxy-4-méthoxyphényl)éthyl](méthyl)amino}-2-isopropylpentanenitrile [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5-{[2-(3-hydroxy-4-methoxyphenyl)ethyl](methyl)amino}-2-isopropylpentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[3-[[2-(3-hydroxy-4-methoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)- [ACD/Index Name]
2-(3,4-dimethoxyphenyl)-5-{[2-(3-hydroxy-4-methoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
O-Desmethylverapamil (D-702)

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 317.4±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.84
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 10.49
ACD/KOC (pH 7.4): 66.65
Polar Surface Area: 75 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 403.8±3.0 cm3

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