ChemSpider 2D Image | Longdaysin | C16H16F3N5

Longdaysin

  • Molecular FormulaC16H16F3N5
  • Average mass335.327 Da
  • Monoisotopic mass335.135773 Da
  • ChemSpider ID24751747

More details:






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

9H-Purin-6-amine, 9-(1-methylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
9-Isopropyl-N-[3-(trifluormethyl)benzyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-Isopropyl-N-[3-(trifluoromethyl)benzyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-Isopropyl-N-[3-(trifluorométhyl)benzyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
Longdaysin
9-isopropyl-N-(3-(trifluoromethyl)benzyl)-9H-purin-6-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.5±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 512.55
ACD/KOC (pH 5.5): 3016.72
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.57
ACD/KOC (pH 7.4): 3058.01
Polar Surface Area: 56 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 246.6±7.0 cm3

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