ChemSpider 2D Image | (3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-2-hydroxy-3-phenylpropanoate | C17H23NO3

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-2-hydroxy-3-phenylpropanoate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID32698961

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxy-3-phénylpropanoate de (3-endo)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-2-hydroxy-3-phenylpropanoate [ACD/IUPAC Name]
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-(2R)-2-hydroxy-3-phenylpropanoat [German] [ACD/IUPAC Name]
21956-47-8 [RN]
Benzenepropanoic acid, α-hydroxy-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αR)- [ACD/Index Name]
(R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate
BS-16051
littorine
LITTORINE, (2RS)-
MFCD30543939
More...

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

19Q4V37F3R [DBID]
UNII:19Q4V37F3R [DBID]
UNII-19Q4V37F3R [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.0±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 50 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site


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