ChemSpider 2D Image | (+)-devapamil | C26H36N2O3

(+)-devapamil

  • Molecular FormulaC26H36N2O3
  • Average mass424.576 Da
  • Monoisotopic mass424.272583 Da
  • ChemSpider ID32700947

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-devapamil
(2R)-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{[2-(3-methoxyphenyl)ethyl](methyl)amino}pentanenitrile [ACD/IUPAC Name]
(2R)-2-(3,4-Diméthoxyphényl)-2-isopropyl-5-{[2-(3-méthoxyphényl)éthyl](méthyl)amino}pentanenitrile [French] [ACD/IUPAC Name]
(2R)-2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{[2-(3-methoxyphenyl)ethyl](methyl)amino}pentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]-α-(1-methylethyl)-, (αR)- [ACD/Index Name]
(2R)-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(3-methoxyphenyl)ethyl-methylamino]pentanenitrile
(2R)-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(3-methoxyphenyl)ethyl-methyl-amino]pentanenitrile
(2R)-2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[2-(3-methoxyphenyl)ethyl-methyl-amino]valeronitrile
(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 567.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 25.20
ACD/KOC (pH 7.4): 117.01
Polar Surface Area: 55 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 405.4±3.0 cm3

Click to predict properties on the Chemicalize site


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