ChemSpider 2D Image | maropitant | C32H40N2O

maropitant

  • Molecular FormulaC32H40N2O
  • Average mass468.673 Da
  • Monoisotopic mass468.314056 Da
  • ChemSpider ID57261276

  • 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-[2-methoxy-5-(2-methyl-2-propanyl)benzyl]chinuclidin-3-amin [German] [ACD/IUPAC Name]
(2R,3S)-2-(Diphenylmethyl)-N-[2-methoxy-5-(2-methyl-2-propanyl)benzyl]quinuclidin-3-amine [ACD/IUPAC Name]
(2R,3S)-2-(Diphénylméthyl)-N-[2-méthoxy-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-methoxyphenyl]methyl]-2-(diphenylmethyl)-, (2R,3S)- [ACD/Index Name]
maropitant [INN] [Wiki]
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
147116-67-4 [RN]
1-Azabicyclo[2.2.2]octan-3-amine, N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]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: 572.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.1±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 42.42
ACD/KOC (pH 5.5): 51.28
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 339.05
ACD/KOC (pH 7.4): 409.81
Polar Surface Area: 25 Å2
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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