ChemSpider 2D Image | THQ-PINACA | C22H25N3O

THQ-PINACA

  • Molecular FormulaC22H25N3O
  • Average mass347.453 Da
  • Monoisotopic mass347.199768 Da
  • ChemSpider ID97091816

More details:

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

3,4-Dihydro-1(2H)-chinolinyl(1-pentyl-1H-indazol-3-yl)methanon [German] [ACD/IUPAC Name]
3,4-Dihydro-1(2H)-quinoléinyl(1-pentyl-1H-indazol-3-yl)méthanone [French] [ACD/IUPAC Name]
3,4-Dihydro-1(2H)-quinolinyl(1-pentyl-1H-indazol-3-yl)methanone [ACD/IUPAC Name]
Methanone, (3,4-dihydro-1(2H)-quinolinyl)(1-pentyl-1H-indazol-3-yl)- [ACD/Index Name]
THQ-PINACA
(3,4-dihydroquinolin-1(2H)-yl)(1-pentyl-1H-indazol-3-yl)methanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.5±27.9 °C
Index of Refraction: 1.632
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4668.89
ACD/KOC (pH 5.5): 14723.54
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4669.02
ACD/KOC (pH 7.4): 14723.96
Polar Surface Area: 38 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 295.3±7.0 cm3

Click to predict properties on the Chemicalize site


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