Chemical Properties of Indeno(1,2,3-ij)isoquinoline (CAS 206-56-4)

InChI

InChI=1S/C15H9N/c1-2-6-13-11(5-1)12-7-3-4-10-8-9-16-15(13)14(10)12/h1-9H

InChI Key

XQNXAFHTOWJFTR-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1ccc2c(c1)-c1cccc3ccnc-2c13

Molecular Weight¹

203.24

CAS

206-56-4

Other Names

• 1-Azafluoranthene
• Indeno[1.2.3-ij]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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Inp	[347.57; 348.47]
Inp	348.47		NIST
Inp	347.57		NIST
Inp	348.17		NIST
Inp	348.17		NIST
Tboil	661.00	K	NIST
Tfus	356.00	K	NIST

Similar Compounds

Find more compounds similar to Indeno(1,2,3-ij)isoquinoline.

Sources

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

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