ChemSpider 2D Image | 5-[2-(2-Hydroxy-4-methylphenyl)-2-oxoethyl]-7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepinediium | C20H24N2O2

5-[2-(2-Hydroxy-4-methylphenyl)-2-oxoethyl]-7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepinediium

  • Molecular FormulaC20H24N2O2
  • Average mass324.416 Da
  • Monoisotopic mass324.182678 Da
  • ChemSpider ID21220569
  • Charge - Charge


More details:






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

1H-1,4-Diazepinium, 2,3,6,7-tetrahydro-5-[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl]-7-phenyl- [ACD/Index Name]
5-[2-(2-Hydroxy-4-methylphenyl)-2-oxoethyl]-7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepindiium [German] [ACD/IUPAC Name]
5-[2-(2-Hydroxy-4-methylphenyl)-2-oxoethyl]-7-phenyl-2,3,6,7-tetrahydro-1H-1,4-diazepinediium [ACD/IUPAC Name]
5-[2-(2-Hydroxy-4-méthylphényl)-2-oxoéthyl]-7-phényl-2,3,6,7-tétrahydro-1H-1,4-diazépinediium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 10.99
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 78.86
ACD/KOC (pH 7.4): 345.74
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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