ChemSpider 2D Image | (2S,3S)-2-(Diphenylmethyl)-N-(2-iodobenzyl)quinuclidin-3-amine | C27H29IN2

(2S,3S)-2-(Diphenylmethyl)-N-(2-iodobenzyl)quinuclidin-3-amine

  • Molecular FormulaC27H29IN2
  • Average mass508.437 Da
  • Monoisotopic mass508.137543 Da
  • ChemSpider ID4470724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(Diphenylmethyl)-N-(2-iodbenzyl)chinuclidin-3-amin [German] [ACD/IUPAC Name]
(2S,3S)-2-(Diphenylmethyl)-N-(2-iodobenzyl)quinuclidin-3-amine [ACD/IUPAC Name]
(2S,3S)-2-(Diphénylméthyl)-N-(2-iodobenzyl)quinuclidin-3-amine [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[(2-iodophenyl)methyl]-, (2S,3S)- [ACD/Index Name]
(2S,3S)-2-Benzhydryl-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
(7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
(7S,8S)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
144425-84-3 [RN]
L-703,606
L703606
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-703606 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 571.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±27.3 °C
Index of Refraction: 1.681
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 16.97
ACD/KOC (pH 5.5): 29.68
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 113.01
ACD/KOC (pH 7.4): 197.64
Polar Surface Area: 15 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 354.5±5.0 cm3

Click to predict properties on the Chemicalize site


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