ChemSpider 2D Image | 6-(1-Azepanyl)-N-[2-(4-methylphenyl)ethyl]-N'-[3-(2-methyl-2-propanyl)phenyl]-1,3,5-triazine-2,4-diamine | C28H38N6

6-(1-Azepanyl)-N-[2-(4-methylphenyl)ethyl]-N'-[3-(2-methyl-2-propanyl)phenyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC28H38N6
  • Average mass458.642 Da
  • Monoisotopic mass458.315796 Da
  • ChemSpider ID124643709

More details:

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

1,3,5-Triazine-2,4-diamine, N2-[3-(1,1-dimethylethyl)phenyl]-6-(hexahydro-1H-azepin-1-yl)-N4-[2-(4-methylphenyl)ethyl]- [ACD/Index Name]
6-(1-Azepanyl)-N-[2-(4-methylphenyl)ethyl]-N'-[3-(2-methyl-2-propanyl)phenyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-(1-Azepanyl)-N-[2-(4-methylphenyl)ethyl]-N'-[3-(2-methyl-2-propanyl)phenyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-(1-Azépanyl)-N-[2-(4-méthylphényl)éthyl]-N'-[3-(2-méthyl-2-propanyl)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: 1.1±0.1 g/cm3
Boiling Point: 632.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3949.35
ACD/KOC (pH 5.5): 7110.40
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 30596.96
ACD/KOC (pH 7.4): 55086.66
Polar Surface Area: 66 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 404.8±3.0 cm3

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