ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl}amino)-2-isopropylpentanenitrile | C31H45N3O4

2-(3,4-Dimethoxyphenyl)-5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl}amino)-2-isopropylpentanenitrile

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID9505390

More details:

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

2-(3,4-Dimethoxyphenyl)-5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl}amino)-2-isopropylpentanenitrile [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-5-({1-[2-(3,4-diméthoxyphényl)éthyl]-4-pipéridinyl}amino)-2-isopropylpentanenitrile [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl}amino)-2-isopropylpentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinyl]amino]propyl]-3,4-dimethoxy-α-(1-methylethyl)- [ACD/Index 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: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 7.90
Polar Surface Area: 76 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 471.3±5.0 cm3

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