Chemical Properties of 2-Azapyrene (CAS 193-98-6)

InChI

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

InChI Key

VXNBYQYOFXSMOE-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1cc2ccc3cncc4ccc(c1)c2c34

Molecular Weight¹

203.24

CAS

193-98-6

• 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	-6.07		Crippen Calculated Property
logPoct/wat	3.979		Crippen Calculated Property
McVol	154.350	ml/mol	McGowan Calculated Property
Inp	[362.20; 362.43]
Inp	362.20		NIST
Inp	362.43		NIST
Inp	362.43		NIST

Similar Compounds

Find more compounds similar to 2-Azapyrene.

Sources

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

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