Chemical Properties of 6-Phenylisoquinoline (CAS 70125-61-0)

InChI

InChI=1S/C15H11N/c1-2-4-12(5-3-1)13-6-7-15-11-16-9-8-14(15)10-13/h1-11H

InChI Key

CNTILWPLENFTMZ-UHFFFAOYSA-N

Formula

C15H11N

SMILES

c1ccc(-c2ccc3cnccc3c2)cc1

Molecular Weight¹

205.25

CAS

70125-61-0

Other Names

• Isoquinoline, 6-phenyl-

• 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	-5.64		Crippen Calculated Property
logPoct/wat	3.902		Crippen Calculated Property
McVol	165.210	ml/mol	McGowan Calculated Property
Inp	[2029.80; 2029.80]
Inp	2029.80		NIST
Inp	2029.80		NIST

Similar Compounds

Find more compounds similar to 6-Phenylisoquinoline.

Sources

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

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