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Search term: QKAKYFBKVKSLLT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S,3S)-2-(3-Methoxyphenyl)-3-methylmorpholine | C12H17NO2

(2S,3S)-2-(3-Methoxyphenyl)-3-methylmorpholine

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID110595415
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3S)-2-(3-Methoxyphenyl)-3-methylmorpholin [German] [ACD/IUPAC Name]
(2S,3S)-2-(3-Methoxyphenyl)-3-methylmorpholine [ACD/IUPAC Name]
(2S,3S)-2-(3-Méthoxyphényl)-3-méthylmorpholine [French] [ACD/IUPAC Name]
Morpholine, 2-(3-methoxyphenyl)-3-methyl-, (2S,3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 324.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 131.0±16.0 °C
Index of Refraction: 1.499
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.26
Polar Surface Area: 30 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

Click to predict properties on the Chemicalize site






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