ChemSpider 2D Image | (2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholin-4-ium | C21H36NO

(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholin-4-ium

  • Molecular FormulaC21H36NO
  • Average mass318.516 Da
  • Monoisotopic mass318.279144 Da
  • ChemSpider ID58163807
  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholin-4-ium [German] [ACD/IUPAC Name]
(2R,6S)-2,6-Dimethyl-4-{2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholin-4-ium [ACD/IUPAC Name]
(2R,6S)-2,6-Diméthyl-4-{2-méthyl-3-[4-(2-méthyl-2-butanyl)phényl]propyl}morpholin-4-ium [French] [ACD/IUPAC Name]
Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, conjugate acid, (2R,6S)- [ACD/Index Name]
amorolfine(1+)
rac-(2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholin-4-ium

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

Density:
Boiling Point: 407.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 119.6±27.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 105.96
ACD/KOC (pH 5.5): 298.20
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 3748.49
ACD/KOC (pH 7.4): 10549.31
Polar Surface Area: 14 Å2
Polarizability:
Surface Tension:
Molar Volume:

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