Chemical Properties of 4-Azapyrene (CAS 194-03-6)

InChI

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

InChI Key

YEELFSTYCPPLQY-UHFFFAOYSA-N

Formula

C15H9N

SMILES

c1cc2ccc3cccc4ncc(c1)c2c34

Molecular Weight¹

203.24

CAS

194-03-6

Other Names

• Benzo(lmn)phenanthridine
• Pyrenidine
• Thebenidin-
• Benzo[l.m.n]phenanthridine
• Thebenidine-
• 5-Azapyrene

• 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	[356.93; 361.78]
Inp	358.76		NIST
Inp	361.20		NIST
Inp	357.94		NIST
Inp	358.53		NIST
Inp	356.93		NIST
Inp	357.94		NIST
Inp	361.78		NIST

Similar Compounds

Find more compounds similar to 4-Azapyrene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.