ChemSpider 2D Image | 5,5'-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}bis[2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile] | C42H57N3O6

5,5'-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}bis[2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile]

  • Molecular FormulaC42H57N3O6
  • Average mass699.919 Da
  • Monoisotopic mass699.424744 Da
  • ChemSpider ID32698033

More details:

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

5,5'-((2-(3,4-DIMETHOXYPHENYL)ETHYL)IMINO)BIS(2-(3,4-DIMETHOXYPHENYL)-2-(1-METHYLETHYL)PENTANENITRILE)
5,5'-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}bis[2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile] [ACD/IUPAC Name]
5,5'-{[2-(3,4-Diméthoxyphényl)éthyl]imino}bis[2-(3,4-diméthoxyphényl)-2-isopropylpentanenitrile] [French] [ACD/IUPAC Name]
5,5'-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}bis[2-(3,4-dimethoxyphenyl)-2-isopropylpentannitril] [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α,α'-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]di-3,1-propanediyl]bis[3,4-dimethoxy-α-(1-methylethyl)- [ACD/Index Name]
141991-89-1 [RN]
VERAPAMIL IMPURITY M

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

UNII:69S2KI89C4 [DBID]
69S2KI89C4 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 803.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.4±34.3 °C
Index of Refraction: 1.534
Molar Refractivity: 201.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 52.35
ACD/KOC (pH 5.5): 93.80
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 1921.97
ACD/KOC (pH 7.4): 3443.41
Polar Surface Area: 106 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 648.3±3.0 cm3

Click to predict properties on the Chemicalize site


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