Chemical Properties of 3-Hydroxy-6-(propionyloxy)tropane (CAS 131840-11-4)

InChI

InChI=1S/C11H19NO3/c1-3-11(14)15-10-5-7-4-8(13)6-9(10)12(7)2/h7-10,13H,3-6H2,1-2H3

InChI Key

QEIOVUHAVKEKPL-UHFFFAOYSA-N

Formula

C11H19NO3

SMILES

CCC(=O)OC1CC2CC(O)CC1N2C

Molecular Weight¹

213.27

CAS

131840-11-4

• 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	-1.36		Crippen Calculated Property
logPoct/wat	0.536		Crippen Calculated Property
McVol	167.420	ml/mol	McGowan Calculated Property
Inp	[1655.60; 1655.60]
Inp	1655.60		NIST
Inp	1655.60		NIST

Similar Compounds

Find more compounds similar to 3-Hydroxy-6-(propionyloxy)tropane.

Sources

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

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