Chemical Properties of Amabiline

InChI

InChI=1S/C16H27NO4/c1-10(2)16(20,11(3)18)12(4)21-9-13-5-7-17-8-6-14(19)15(13)17/h5,10-11,14-15,18-20H,4,6-9H2,1-3H3/t11-,14-,15?,16-/m0/s1

InChI Key

LCGFFVMHSUIPAC-OLSVDGPUSA-N

Formula

C16H27NO4

SMILES

C=C(OCC1=CCN2CCC(O)C12)C(O)(C(C)C)C(C)O

Molecular Weight¹

297.39

• 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	-2.17		Crippen Calculated Property
logPoct/wat	0.660		Crippen Calculated Property
McVol	239.440	ml/mol	McGowan Calculated Property
Inp	[1985.00; 1985.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	1985.00		NIST
Inp	1985.00		NIST

Similar Compounds

Find more compounds similar to Amabiline.

Sources

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

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