ChemSpider 2D Image | (2R,4S)-8-methyl-2,4-bis(3-phenylpropyl)-8-azabicyclo[3.2.1]octane | C26H35N

(2R,4S)-8-methyl-2,4-bis(3-phenylpropyl)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC26H35N
  • Average mass361.563 Da
  • Monoisotopic mass361.276947 Da
  • ChemSpider ID23263011

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,4S)-8-Methyl-2,4-bis(3-phenylpropyl)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(2R,4S)-8-methyl-2,4-bis(3-phenylpropyl)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2R,4S)-8-Méthyl-2,4-bis(3-phénylpropyl)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-azabicyclo[3.2.1]octane, 8-methyl-2,4-bis(3-phenylpropyl)-, (2R,4S)- [ACD/Index Name]
(2S,4R)-8-Methyl-2,4-bis-(3-phenyl-propyl)-8-aza-bicyclo[3.2.1]octane
CHEMBL364264
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL364264/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 473.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 210.1±17.0 °C
Index of Refraction: 1.548
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 84.29
ACD/KOC (pH 5.5): 109.44
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 92.19
ACD/KOC (pH 7.4): 119.70
Polar Surface Area: 3 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

Click to predict properties on the Chemicalize site


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