ChemSpider 2D Image | (6S)-6-Amino-6-(2-chlorophenyl)-2-cyclohexen-1-one | C12H12ClNO

(6S)-6-Amino-6-(2-chlorophenyl)-2-cyclohexen-1-one

  • Molecular FormulaC12H12ClNO
  • Average mass221.683 Da
  • Monoisotopic mass221.060745 Da
  • ChemSpider ID81368478

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Amino-6-(2-chlorophenyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(6S)-6-Amino-6-(2-chlorophényl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
(6S)-6-Amino-6-(2-chlorphenyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 6-amino-6-(2-chlorophenyl)-, (6S)- [ACD/Index Name]
153381-94-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.1±27.9 °C
Index of Refraction: 1.590
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 42.77
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 145.36
Polar Surface Area: 43 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 178.4±3.0 cm3

Click to predict properties on the Chemicalize site


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