ChemSpider 2D Image | (2S)-1-(4-Chlorophenyl)-2-(methylamino)-1-propanone | C10H12ClNO

(2S)-1-(4-Chlorophenyl)-2-(methylamino)-1-propanone

  • Molecular FormulaC10H12ClNO
  • Average mass197.661 Da
  • Monoisotopic mass197.060745 Da
  • ChemSpider ID72840627
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-(4-Chlorophenyl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
(2S)-1-(4-Chlorophényl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
(2S)-1-(4-Chlorphenyl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(4-chlorophenyl)-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 302.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 136.9±22.3 °C
Index of Refraction: 1.529
Molar Refractivity: 54.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.13
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 12.97
ACD/KOC (pH 7.4): 193.32
Polar Surface Area: 29 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

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