ChemSpider 2D Image | 2-(4-{[3-(Trifluoromethyl)benzyl]amino}-1-piperidinyl)isonicotinonitrile | C19H19F3N4

2-(4-{[3-(Trifluoromethyl)benzyl]amino}-1-piperidinyl)isonicotinonitrile

  • Molecular FormulaC19H19F3N4
  • Average mass360.376 Da
  • Monoisotopic mass360.156189 Da
  • ChemSpider ID30945271

More details:

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

2-(4-{[3-(Trifluormethyl)benzyl]amino}-1-piperidinyl)isonicotinonitril [German] [ACD/IUPAC Name]
2-(4-{[3-(Trifluoromethyl)benzyl]amino}-1-piperidinyl)isonicotinonitrile [ACD/IUPAC Name]
2-(4-{[3-(Trifluorométhyl)benzyl]amino}-1-pipéridinyl)isonicotinonitrile [French] [ACD/IUPAC Name]
4-Pyridinecarbonitrile, 2-[4-[[[3-(trifluoromethyl)phenyl]methyl]amino]-1-piperidinyl]- [ACD/Index Name]
2-(4-{[3-(trifluoromethyl)benzyl]amino}piperidin-1-yl)isonicotinonitrile
2-[4-({[3-(TRIFLUOROMETHYL)PHENYL]METHYL}AMINO)PIPERIDIN-1-YL]PYRIDINE-4-CARBONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.6±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 23.33
ACD/KOC (pH 7.4): 186.46
Polar Surface Area: 52 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 278.0±5.0 cm3

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