ChemSpider 2D Image | aphrocallistin | C20H24Br2N6O2

aphrocallistin

  • Molecular FormulaC20H24Br2N6O2
  • Average mass540.252 Da
  • Monoisotopic mass538.032715 Da
  • ChemSpider ID24665809

More details:



Featured data source



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

Acetamide, N-[2-[3,5-dibromo-4-[3-[(3-methyl-3H-purin-6-yl)amino]propoxy]phenyl]ethyl]-N-methyl- [ACD/Index Name]
aphrocallistin
N-[2-(3,5-Dibrom-4-{3-[(3-methyl-3H-purin-6-yl)amino]propoxy}phenyl)ethyl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-[2-(3,5-Dibromo-4-{3-[(3-methyl-3H-purin-6-yl)amino]propoxy}phenyl)ethyl]-N-methylacetamide [ACD/IUPAC Name]
N-[2-(3,5-Dibromo-4-{3-[(3-méthyl-3H-purin-6-yl)amino]propoxy}phényl)éthyl]-N-méthylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 640.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 52.44
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 38.84
ACD/KOC (pH 7.4): 462.27
Polar Surface Area: 82 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 335.5±7.0 cm3

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