ChemSpider 2D Image | (-)-3-[4-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-2-butenenitrile | C23H28N2O4

(-)-3-[4-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-2-butenenitrile

  • Molecular FormulaC23H28N2O4
  • Average mass396.479 Da
  • Monoisotopic mass396.204895 Da
  • ChemSpider ID62991204

More details:

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

(-)-3-[4-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-2-butenenitrile
(2E)-3-[4-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]-2-butenenitrile [ACD/IUPAC Name]
(2E)-3-[4-(3-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-hydroxypropoxy)phényl]-2-butènenitrile [French] [ACD/IUPAC Name]
(2E)-3-[4-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)phenyl]-2-butennitril [German] [ACD/IUPAC Name]
2-Butenenitrile, 3-[4-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]phenyl]-, (2E)- [ACD/Index Name]
65655-59-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.7±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 33.02
Polar Surface Area: 84 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 349.1±3.0 cm3

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