ChemSpider 2D Image | (2S,6S)-2-Amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone | C12H14ClNO2

(2S,6S)-2-Amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone

  • Molecular FormulaC12H14ClNO2
  • Average mass239.698 Da
  • Monoisotopic mass239.071304 Da
  • ChemSpider ID57617863

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6S)-2-Amino-2-(2-chlorophenyl)-6-hydroxycyclohexanone [ACD/IUPAC Name]
(2S,6S)-2-Amino-2-(2-chlorophényl)-6-hydroxycyclohexanone [French] [ACD/IUPAC Name]
(2S,6S)-2-Amino-2-(2-chlorphenyl)-6-hydroxycyclohexanon [German] [ACD/IUPAC Name]
Cyclohexanone, 2-amino-2-(2-chlorophenyl)-6-hydroxy-, (2S,6S)- [ACD/Index Name]
(2S,?6S)?-2-?amino-?2-?(2-?chlorophenyl)?-?6-?hydroxy-Cyclohexanone
(2S,6S)-Hydroxynorketamine
111056-64-5 [RN]
95342-35-1 [RN]
MFCD31700396
rac-(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.14
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 76.57
Polar Surface Area: 63 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 182.1±3.0 cm3

Click to predict properties on the Chemicalize site


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