Chemical Properties of Dibenz[a,j]acridine (CAS 224-42-0)

InChI

InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H

InChI Key

ANUCHZVCBDOPOX-UHFFFAOYSA-N

Formula

C21H13N

SMILES

c1ccc2c(c1)ccc1nc3ccc4ccccc4c3cc12

Molecular Weight¹

279.33

CAS

224-42-0

Other Names

• Dibenzo[a,j]acridine
• 1,2:7,8-Dibenzacridine
• 7-Azadibenz[a,j]anthracene
• 1,2,7,8-Dibenzacridine
• Db(a,j)ac

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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	-8.46		Crippen Calculated Property
logPoct/wat	5.694		Crippen Calculated Property
McVol	215.130	ml/mol	McGowan Calculated Property
Inp	[485.37; 3197.00]
Inp	Outlier 3197.00		NIST
Inp	487.56		NIST
Inp	490.53		NIST
Inp	485.37		NIST
Inp	490.66		NIST
Inp	490.66		NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Dibenz[a,j]acridine.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.