ChemSpider 2D Image | (2S,3S)-2-(Diphenylmethyl)-N-{2-[(~13~C,~2~H_3_)methyloxy]-5-(2-methyl-2-propanyl)benzyl}quinuclidin-3-amine | C3113CH37D3N2O

(2S,3S)-2-(Diphenylmethyl)-N-{2-[(13C,2H3)methyloxy]-5-(2-methyl-2-propanyl)benzyl}quinuclidin-3-amine

  • Molecular FormulaC3113CH37D3N2O
  • Average mass472.684 Da
  • Monoisotopic mass472.336243 Da
  • ChemSpider ID115009045

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-2-(Diphenylmethyl)-N-{2-[(13C,2H3)methyloxy]-5-(2-methyl-2-propanyl)benzyl}chinuclidin-3-amin [German] [ACD/IUPAC Name]
(2S,3S)-2-(Diphenylmethyl)-N-{2-[(13C,2H3)methyloxy]-5-(2-methyl-2-propanyl)benzyl}quinuclidin-3-amine [ACD/IUPAC Name]
(2S,3S)-2-(Diphénylméthyl)-N-{2-[(13C,2H3)méthyloxy]-5-(2-méthyl-2-propanyl)benzyl}quinuclidin-3-amine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-(methyl-13C-d3-oxy)phenyl]methyl]-2-(diphenylmethyl)-, (2S,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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 421.2±5.0 cm3

Click to predict properties on the Chemicalize site


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