ChemSpider 2D Image | (+)-alpha-Isomethadol | C21H29NO

(+)-α-Isomethadol

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID23231502

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-α-Isomethadol
(3S,5R)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-hexanol [German] [ACD/IUPAC Name]
(3S,5R)-6-(Dimethylamino)-5-methyl-4,4-diphenyl-3-hexanol [ACD/IUPAC Name]
(3S,5R)-6-(Diméthylamino)-5-méthyl-4,4-diphényl-3-hexanol [French] [ACD/IUPAC Name]
26533-05-1 [RN]
3K09W5X3QN
Benzeneethanol, β-[(1R)-2-(dimethylamino)-1-methylethyl]-α-ethyl-β-phenyl-, (αS)- [ACD/Index Name]
H3MFO3NVRL
Isomethadol
UNII:H3MFO3NVRL
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 168.4±25.3 °C
Index of Refraction: 1.547
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 13.98
ACD/KOC (pH 7.4): 68.76
Polar Surface Area: 23 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 307.3±3.0 cm3

Click to predict properties on the Chemicalize site


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