ChemSpider 2D Image | 6-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-isopropyl-3(2H)-pyridazinone | C14H21N7O2

6-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-isopropyl-3(2H)-pyridazinone

  • Molecular FormulaC14H21N7O2
  • Average mass319.362 Da
  • Monoisotopic mass319.175659 Da
  • ChemSpider ID21500495

More details:

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

3(2H)-Pyridazinone, 6-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-(1-methylethyl)- [ACD/Index Name]
6-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-isopropyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-isopropyl-3(2H)-pyridazinone [ACD/IUPAC Name]
6-{[4,6-Bis(diméthylamino)-1,3,5-triazin-2-yl]oxy}-2-isopropyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
6-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
6-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}-2-(propan-2-yl)pyridazin-3(2H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±24.0 °C
Index of Refraction: 1.612
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.22
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.59
Polar Surface Area: 87 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 250.8±7.0 cm3

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