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

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

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.38		Crippen Calculated Property
logPoct/wat	0.716		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Inp	[1636.00; 1689.00]
Inp	1689.00		NIST
Inp	1636.00		NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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