ChemSpider 2D Image | 3-({4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methyl)benzonitrile | C19H19F3N4

3-({4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methyl)benzonitrile

  • Molecular FormulaC19H19F3N4
  • Average mass360.376 Da
  • Monoisotopic mass360.156189 Da
  • ChemSpider ID30575515

More details:

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

3-({4-[5-(Trifluormethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methyl)benzonitril [German] [ACD/IUPAC Name]
3-({4-[5-(Trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl}methyl)benzonitrile [ACD/IUPAC Name]
3-({4-[5-(Trifluorométhyl)-2-pyridinyl]-1,4-diazépan-1-yl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,4-diazepin-1-yl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 42.45
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 168.82
ACD/KOC (pH 7.4): 1276.04
Polar Surface Area: 43 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 276.2±5.0 cm3

Click to predict properties on the Chemicalize site


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