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Search term: BIYFBWRLDKOYMU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1-(3,4-Dichlorophenyl)-2-(ethylamino)-1-propanone | C11H13Cl2NO

(2S)-1-(3,4-Dichlorophenyl)-2-(ethylamino)-1-propanone

  • Molecular FormulaC11H13Cl2NO
  • Average mass246.133 Da
  • Monoisotopic mass245.037415 Da
  • ChemSpider ID113059611

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(3,4-Dichlorophenyl)-2-(ethylamino)-1-propanone [ACD/IUPAC Name]
(2S)-1-(3,4-Dichlorophényl)-2-(éthylamino)-1-propanone [French] [ACD/IUPAC Name]
(2S)-1-(3,4-Dichlorphenyl)-2-(ethylamino)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(3,4-dichlorophenyl)-2-(ethylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 167.0±26.5 °C
Index of Refraction: 1.536
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 5.23
ACD/KOC (pH 5.5): 45.79
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 98.67
ACD/KOC (pH 7.4): 863.86
Polar Surface Area: 29 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 203.6±3.0 cm3

Click to predict properties on the Chemicalize site


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