ChemSpider 2D Image | (2S,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol | C13H18ClNO2

(2S,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol

  • Molecular FormulaC13H18ClNO2
  • Average mass255.740 Da
  • Monoisotopic mass255.102600 Da
  • ChemSpider ID128924735

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol [ACD/IUPAC Name]
(2S,3R)-2-(3-Chlorophényl)-3,5,5-triméthyl-2-morpholinol [French] [ACD/IUPAC Name]
(2S,3R)-2-(3-Chlorphenyl)-3,5,5-trimethyl-2-morpholinol [German] [ACD/IUPAC Name]
2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2S,3R)- [ACD/Index Name]
192374-14-4 [RN]
2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (2S,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 386.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 187.6±27.9 °C
Index of Refraction: 1.523
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 13.25
ACD/KOC (pH 7.4): 162.58
Polar Surface Area: 41 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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