ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{4-[2-(3,4,5-trimethoxyphenoxy)ethyl]-1-piperazinyl}pentanenitrile | C31H45N3O6

2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{4-[2-(3,4,5-trimethoxyphenoxy)ethyl]-1-piperazinyl}pentanenitrile

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID90617799

More details:

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

1-Piperazinepentanenitrile, α-(3,4-dimethoxyphenyl)-α-(1-methylethyl)-4-[2-(3,4,5-trimethoxyphenoxy)ethyl]- [ACD/Index Name]
2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{4-[2-(3,4,5-trimethoxyphenoxy)ethyl]-1-piperazinyl}pentanenitrile [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-2-isopropyl-5-{4-[2-(3,4,5-triméthoxyphénoxy)éthyl]-1-pipérazinyl}pentanenitrile [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-{4-[2-(3,4,5-trimethoxyphenoxy)ethyl]-1-piperazinyl}pentannitril [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 687.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.8±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 3.42
ACD/KOC (pH 5.5): 24.07
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 134.02
ACD/KOC (pH 7.4): 942.43
Polar Surface Area: 86 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 506.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement