ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylhexanoate | C19H27NO3

1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylhexanoate

  • Molecular FormulaC19H27NO3
  • Average mass317.423 Da
  • Monoisotopic mass317.199097 Da
  • ChemSpider ID23112135

More details:

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

1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylhexanoate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl-2-hydroxy-2-phenylhexanoat [German] [ACD/IUPAC Name]
2-Hydroxy-2-phénylhexanoate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-butyl-α-hydroxy-, 1-azabicyclo[2.2.2]oct-3-yl ester [ACD/Index Name]
2-Hydroxy-2-phenyl-hexanoic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274623/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.3±25.9 °C
Index of Refraction: 1.571
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 5.37
ACD/KOC (pH 7.4): 47.76
Polar Surface Area: 50 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 274.1±5.0 cm3

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