Chemical Properties of 13-Acetyloxy-lupanine

InChI

InChI=1S/C17H26N2O3/c1-11(20)22-15-4-6-18-13(9-15)7-12-8-14(18)10-16-17(21)3-2-5-19(12)16/h12-16H,2-10H2,1H3

InChI Key

SFMOQALRSHSJBL-UHFFFAOYSA-N

Formula

C17H26N2O3

SMILES

CC(=O)OC1CCN2C(C1)CC1CC2CC2C(=O)CCCN12

Molecular Weight¹

306.40

Other Names

• 13-acetoxylupanine

• 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	-2.36		Crippen Calculated Property
logPoct/wat	1.351		Crippen Calculated Property
McVol	235.920	ml/mol	McGowan Calculated Property
Inp	[2445.00; 2470.00]
Inp	2470.00		NIST
Inp	2445.00		NIST
Inp	2445.00		NIST
Inp	2470.00		NIST

Similar Compounds

Find more compounds similar to 13-Acetyloxy-lupanine.

Sources

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

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