ChemSpider 2D Image | N-Allyl-6-[4-(2-pyridinyl)-1-piperazinyl]-N'-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine | C22H23F3N8O

N-Allyl-6-[4-(2-pyridinyl)-1-piperazinyl]-N'-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID124548883

More details:

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

1,3,5-Triazine-2,4-diamine, N2-2-propen-1-yl-6-[4-(2-pyridinyl)-1-piperazinyl]-N4-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
N-Allyl-6-[4-(2-pyridinyl)-1-piperazinyl]-N'-[4-(trifluormethoxy)phenyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-Allyl-6-[4-(2-pyridinyl)-1-piperazinyl]-N'-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-Allyl-6-[4-(2-pyridinyl)-1-pipérazinyl]-N'-[4-(trifluorométhoxy)phényl]-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.1±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 13.16
ACD/KOC (pH 7.4): 106.48
Polar Surface Area: 91 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

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