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Search term: DXMZEFZHFMLFKR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-(2,5-Dimethylphenyl)-2-(methylamino)-1-propanone | C12H17NO

(2S)-1-(2,5-Dimethylphenyl)-2-(methylamino)-1-propanone

  • Molecular FormulaC12H17NO
  • Average mass191.270 Da
  • Monoisotopic mass191.131012 Da
  • ChemSpider ID72840635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(2,5-Dimethylphenyl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-(2,5-Dimethylphenyl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
(2S)-1-(2,5-Diméthylphényl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(2,5-dimethylphenyl)-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 297.2±28.0 °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: 111.7±24.2 °C
Index of Refraction: 1.512
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 77.31
Polar Surface Area: 29 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

Click to predict properties on the Chemicalize site


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