Chemical Properties of 3«alpha»-Phenylacetoxytropane (CAS 1690-22-8)

InChI

InChI=1S/C16H21NO2/c1-17-13-7-8-14(17)11-15(10-13)19-16(18)9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3

InChI Key

DCINQANYMBYYCH-UHFFFAOYSA-N

Formula

C16H21NO2

SMILES

CN1C2CCC1CC(OC(=O)Cc1ccccc1)C2

Molecular Weight¹

259.34

CAS

1690-22-8

• 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	-3.18		Crippen Calculated Property
logPoct/wat	2.398		Crippen Calculated Property
McVol	208.240	ml/mol	McGowan Calculated Property
Inp	[2014.40; 2014.40]
Inp	2014.40		NIST
Inp	2014.40		NIST

Similar Compounds

Find more compounds similar to 3«alpha»-Phenylacetoxytropane.

Sources

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

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