ChemSpider 2D Image | (2R,3S)-2-(Diphenylmethyl)-N-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine | C31H38N2O

(2R,3S)-2-(Diphenylmethyl)-N-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine

  • Molecular FormulaC31H38N2O
  • Average mass454.646 Da
  • Monoisotopic mass454.298401 Da
  • ChemSpider ID30791906

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-(Diphenylmethyl)-N-(5-isopropyl-2-methoxybenzyl)chinuclidin-3-amin [German] [ACD/IUPAC Name]
(2R,3S)-2-(Diphenylmethyl)-N-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine [ACD/IUPAC Name]
(2R,3S)-2-(Diphénylméthyl)-N-(5-isopropyl-2-méthoxybenzyl)quinuclidin-3-amine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, (2R,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: 570.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.7±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 21.25
ACD/KOC (pH 5.5): 31.38
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 169.09
ACD/KOC (pH 7.4): 249.67
Polar Surface Area: 25 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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