Chemical Properties of Histapyrrodine (CAS 493-80-1)

InChI

InChI=1S/C19H24N2/c1-3-9-18(10-4-1)17-21(19-11-5-2-6-12-19)16-15-20-13-7-8-14-20/h1-6,9-12H,7-8,13-17H2

InChI Key

MXHODDGKGSGCDI-UHFFFAOYSA-N

Formula

C19H24N2

SMILES

c1ccc(CN(CCN2CCCC2)c2ccccc2)cc1

Molecular Weight¹

280.41

CAS

493-80-1

• 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	-4.05		Crippen Calculated Property
logPoct/wat	3.789		Crippen Calculated Property
McVol	240.150	ml/mol	McGowan Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST

Similar Compounds

Find more compounds similar to Histapyrrodine.

Sources

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

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