ChemSpider 2D Image | 2-[[[3-[[(4,6-dimethyl-2-pyridyl)amino]methyl]-2,4,6-triethyl-5-[[(8-hydroxy-2-quinolyl)methylamino]methyl]phenyl]methylamino]methyl]quinolin-8-ol | C42H48N6O2

2-[[[3-[[(4,6-dimethyl-2-pyridyl)amino]methyl]-2,4,6-triethyl-5-[[(8-hydroxy-2-quinolyl)methylamino]methyl]phenyl]methylamino]methyl]quinolin-8-ol

  • Molecular FormulaC42H48N6O2
  • Average mass668.870 Da
  • Monoisotopic mass668.383850 Da
  • ChemSpider ID26995557

More details:

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

1,3-Bis-[(8-hydroxyquinolin-2-yl-methyl)aminomethyl]-5-[(4,6-dimethyl-pyridin-2-yl)-aminomethyl]-2,4,6-triethylbenzene
2,2'-[(5-{[(4,6-Dimethyl-2-pyridinyl)amino]methyl}-2,4,6-triethyl-1,3-phenylen)bis(methyleniminomethylen)]di(8-chinolinol) [German] [ACD/IUPAC Name]
2,2'-[(5-{[(4,6-Dimethyl-2-pyridinyl)amino]methyl}-2,4,6-triethyl-1,3-phenylene)bis(methyleneiminomethylene)]di(8-quinolinol) [ACD/IUPAC Name]
8-Quinolinol, 2,2'-[[5-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]-2,4,6-triethyl-1,3-phenylene]bis(methyleneiminomethylene)]bis- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 810.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 444.0±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 207.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 17.51
ACD/KOC (pH 5.5): 18.10
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 960.44
ACD/KOC (pH 7.4): 992.67
Polar Surface Area: 115 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 550.0±3.0 cm3

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