ChemSpider 2D Image | 3-METHYLETHCATHINONE | C12H17NO

3-METHYLETHCATHINONE

  • Molecular FormulaC12H17NO
  • Average mass191.270 Da
  • Monoisotopic mass191.131012 Da
  • ChemSpider ID52085399

More details:






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

1439439-83-4 [RN]
1-Propanone, 2-(ethylamino)-1-(3-methylphenyl)- [ACD/Index Name]
2-(Ethylamino)-1-(3-methylphenyl)-1-propanon [German] [ACD/IUPAC Name]
2-(Ethylamino)-1-(3-methylphenyl)-1-propanone [ACD/IUPAC Name]
2-(Éthylamino)-1-(3-méthylphényl)-1-propanone [French] [ACD/IUPAC Name]
3-METHYLETHCATHINONE
2-(ethylamine)-1-(3-methylphenyl)propan-1-one [ACD/IUPAC Name]
3-MEC [ACD/IUPAC Name]
3-methylethylcathinone [ACD/IUPAC Name]

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

12T12X13JJ [DBID]
UNII:12T12X13JJ [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 297.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 111.6±22.8 °C
Index of Refraction: 1.510
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 6.97
ACD/KOC (pH 7.4): 95.39
Polar Surface Area: 29 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 196.0±3.0 cm3

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