Chemical Properties of Quinisocaine (CAS 86-80-6)

InChI

InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3

InChI Key

XNMYNYSCEJBRPZ-UHFFFAOYSA-N

Formula

C17H24N2O

SMILES

CCCCc1cc2ccccc2c(OCCN(C)C)n1

Molecular Weight¹

272.39

CAS

86-80-6

Other Names

• Ethanamine, 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-
• Isoquinoline, 3-butyl-1-(2-(dimethylamino)ethoxy)-
• Chinisocain
• Dimethisoquin
• Histaderme
• Isochinol
• Prulantex
• Pruralgan
• Pruralgin
• Quinisocain
• Quinoleine
• 3-Butyl-1-[2-(dimethylamino)ethoxy]isoquinoline

• 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	-4.63		Crippen Calculated Property
logPoct/wat	3.518		Crippen Calculated Property
McVol	233.000	ml/mol	McGowan Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Inp	2030.00		NIST

Similar Compounds

Find more compounds similar to Quinisocaine.

Sources

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

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