ChemSpider 2D Image | 4-(1-Methyl-5-{2-[(1-phenylethyl)amino]-4-pyrimidinyl}-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-3-ium-2-yl)piperidinium | C28H31F3N6

4-(1-Methyl-5-{2-[(1-phenylethyl)amino]-4-pyrimidinyl}-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-3-ium-2-yl)piperidinium

  • Molecular FormulaC28H31F3N6
  • Average mass508.580 Da
  • Monoisotopic mass508.255127 Da
  • ChemSpider ID21201783
  • Charge - Charge


More details:






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

4-(1-Methyl-5-{2-[(1-phenylethyl)amino]-4-pyrimidinyl}-4-[3-(trifluormethyl)phenyl]-1H-imidazol-3-ium-2-yl)piperidinium [German] [ACD/IUPAC Name]
4-(1-Methyl-5-{2-[(1-phenylethyl)amino]-4-pyrimidinyl}-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-3-ium-2-yl)piperidinium [ACD/IUPAC Name]
4-(1-Méthyl-5-{2-[(1-phényléthyl)amino]-4-pyrimidinyl}-4-[3-(trifluorométhyl)phényl]-1H-imidazol-3-ium-2-yl)pipéridinium [French] [ACD/IUPAC Name]
Piperidinium, 4-[1-methyl-5-[2-[(1-phenylethyl)amino]-4-pyrimidinyl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazolium-2-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 671.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 9.94
ACD/KOC (pH 5.5): 24.00
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 48.03
ACD/KOC (pH 7.4): 115.95
Polar Surface Area: 73 Å2
Polarizability:
Surface Tension:
Molar Volume:

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