Chemical Properties of Aposcopolamine (CAS 535-26-2)

InChI

InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3

InChI Key

JJNVDCBKBUSUII-UHFFFAOYSA-N

Formula

C17H19NO3

SMILES

C=C(C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1

Molecular Weight¹

285.34

CAS

535-26-2

• 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	-2.83		Crippen Calculated Property
logPoct/wat	1.855		Crippen Calculated Property
McVol	213.040	ml/mol	McGowan Calculated Property
Inp	[2223.50; 2223.50]
Inp	2223.50		NIST
Inp	2223.50		NIST

Similar Compounds

Find more compounds similar to Aposcopolamine.

Sources

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

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