Chemical Properties of 8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester) (CAS 20399-48-8)

8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester)

InChI
InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3
InChI Key
ZBNGGJNWFWYOJK-UHFFFAOYSA-N
Formula
C12H19NO4
SMILES
CC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C
Molecular Weight1
241.28
CAS
20399-48-8
Other Names
  • 3,6-Diacetoxytropane
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
IE 7.94 eV Relay (1.0) Calculated Property
logPoct/wat 0.716 Crippen Calculated Property
McVol 183.080 ml/mol McGowan Calculated Property
Inp [1636.00; 1689.00]   Show Hide
Inp 1689.00 NIST
Inp 1636.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

6-Acetoxytropan-3-ol. 3«beta»-Hydroxy-6«beta»-acetoxytropane. 3«beta»-Tigloyloxy-6«beta»-acetoxytropane. 3«alpha»-Tigloyloxy-6«beta»-acetoxytropane. 3-Hydroxy-6-isobutyryloxytropane. 3-Hydroxy-6-(propionyloxy)tropane. 6-Butyroxytropan-3-ol. 6-Hydroxyacetoxytropane. 3-Hydroxy-6-methylbutyryloxytropane. 3«alpha»-Tigloyloxy-6«beta»-isobutyryloxytropane. 3«alpha»-Tigloyloxy-7«beta»-isobutyryloxytropane. 6-(2-Methylbutyroxy)-tropan-3-ol. 2-Butenoic acid, 2-methyl-,8-methyl-6-(1-oxopropoxy)-8-azabicyclo[3.2.1]oct-3-yl ester, [1R-[1«alpha»,3«beta»(E),5«alpha»,6«alpha»]]-. 6-(Hydroxybutyroxy)-3-pentanoyloxytropane. 3,6-Ditigloyloxytropane.

Find more compounds similar to 8-Azabicyclo[3.2.1]octane-3,6-diol, diacetate (ester).

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.