ChemSpider 2D Image | 3-Benzyl-5-methyl-6-(6-methylheptyl)-2(1H)-pyrazinone | C20H28N2O

3-Benzyl-5-methyl-6-(6-methylheptyl)-2(1H)-pyrazinone

  • Molecular FormulaC20H28N2O
  • Average mass312.449 Da
  • Monoisotopic mass312.220154 Da
  • ChemSpider ID44210929

More details:

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

2(1H)-Pyrazinone, 5-methyl-6-(6-methylheptyl)-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-5-methyl-6-(6-methylheptyl)-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
3-Benzyl-5-methyl-6-(6-methylheptyl)-2(1H)-pyrazinone [ACD/IUPAC Name]
3-Benzyl-5-méthyl-6-(6-méthylheptyl)-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
Marinopyrazinone A

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6555.54
ACD/KOC (pH 5.5): 18772.37
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6555.30
ACD/KOC (pH 7.4): 18771.67
Polar Surface Area: 41 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

Click to predict properties on the Chemicalize site


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