ChemSpider 2D Image | 1-[2-({1-(4-Methylbenzyl)-4,6-dioxo-5-[4-(trifluoromethyl)benzyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}amino)ethyl]guanidine | C22H24F3N7O2

1-[2-({1-(4-Methylbenzyl)-4,6-dioxo-5-[4-(trifluoromethyl)benzyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}amino)ethyl]guanidine

  • Molecular FormulaC22H24F3N7O2
  • Average mass475.467 Da
  • Monoisotopic mass475.194366 Da
  • ChemSpider ID34250935

More details:

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

1-[2-({1-(4-Methylbenzyl)-4,6-dioxo-5-[4-(trifluormethyl)benzyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}amino)ethyl]guanidin [German] [ACD/IUPAC Name]
1-[2-({1-(4-Methylbenzyl)-4,6-dioxo-5-[4-(trifluoromethyl)benzyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}amino)ethyl]guanidine [ACD/IUPAC Name]
1-[2-({1-(4-Méthylbenzyl)-4,6-dioxo-5-[4-(trifluorométhyl)benzyl]-1,4,5,6-tétrahydro-1,3,5-triazin-2-yl}amino)éthyl]guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[2-[[1,4,5,6-tetrahydro-1-[(4-methylphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]- [ACD/Index 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: 587.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 127 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 337.8±7.0 cm3

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