ChemSpider 2D Image | 2-[(Cyclopropyl{4-[(1-methyl-4-piperidinyl)methyl]benzyl}amino)methyl]benzonitrile | C25H31N3

2-[(Cyclopropyl{4-[(1-methyl-4-piperidinyl)methyl]benzyl}amino)methyl]benzonitrile

  • Molecular FormulaC25H31N3
  • Average mass373.534 Da
  • Monoisotopic mass373.251801 Da
  • ChemSpider ID65237187

More details:

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

2-[(Cyclopropyl{4-[(1-methyl-4-piperidinyl)methyl]benzyl}amino)methyl]benzonitril [German] [ACD/IUPAC Name]
2-[(Cyclopropyl{4-[(1-methyl-4-piperidinyl)methyl]benzyl}amino)methyl]benzonitrile [ACD/IUPAC Name]
2-[(Cyclopropyl{4-[(1-méthyl-4-pipéridinyl)méthyl]benzyl}amino)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[cyclopropyl[[4-[(1-methyl-4-piperidinyl)methyl]phenyl]methyl]amino]methyl]- [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: 502.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 206.7±15.2 °C
Index of Refraction: 1.612
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 31.44
ACD/KOC (pH 7.4): 106.91
Polar Surface Area: 30 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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