ChemSpider 2D Image | Mephedrone | C11H15NO


  • Molecular FormulaC11H15NO
  • Average mass177.243 Da
  • Monoisotopic mass177.115356 Da
  • ChemSpider ID21485694

More details:

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

Mephedrone [Wiki]
1-Propanone, 2-(methylamino)-1-(4-methylphenyl)- [ACD/Index Name]
2-(Methylamino)-1-(4-methylphenyl)-1-propanon [German] [ACD/IUPAC Name]
2-(Methylamino)-1-(4-methylphenyl)-1-propanone [ACD/IUPAC Name]
2-(Méthylamino)-1-(4-méthylphényl)-1-propanone [French] [ACD/IUPAC Name]
1189805-46-6 [RN]
  • Miscellaneous
    • Chemical Class:

      A propanone that is propiophenone substituted at C-4 and at C-<locant>beta</locant> with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes. ChEBI CHEBI:59331
  • Gas Chromatography

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

Density: 1.0±0.1 g/cm3
Boiling Point: 280.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 109.6±22.8 °C
Index of Refraction: 1.513
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 126.64
Polar Surface Area: 29 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

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