ChemSpider 2D Image | 5855 | C21H35NO

5855

  • Molecular FormulaC21H35NO
  • Average mass317.509 Da
  • Monoisotopic mass317.271851 Da
  • ChemSpider ID32699088
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,6S)-2,6-Dimethyl-4-{(2S)-2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholin [German] [ACD/IUPAC Name]
(2R,6S)-2,6-Dimethyl-4-{(2S)-2-methyl-3-[4-(2-methyl-2-butanyl)phenyl]propyl}morpholine [ACD/IUPAC Name]
(2R,6S)-2,6-Diméthyl-4-{(2S)-2-méthyl-3-[4-(2-méthyl-2-butanyl)phényl]propyl}morpholine [French] [ACD/IUPAC Name]
5855
78613-35-1 [RN]
AB0BHP2FH0
Morpholine, 4-[(2S)-3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, (2R,6S)- [ACD/Index Name]
UNII:AB0BHP2FH0
UNII-AB0BHP2FH0

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

Density: 0.9±0.1 g/cm3
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: 1.489
Molar Refractivity: 99.1±0.3 cm3
#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: 12 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 343.4±3.0 cm3

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