Chemical Properties of 1H-Purine, 6-methyl- (CAS 2004-03-7)

InChI

InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)

InChI Key

SYMHUEFSSMBHJA-UHFFFAOYSA-N

Formula

C6H6N4

SMILES

Cc1ncnc2[nH]cnc12

Molecular Weight¹

134.14

CAS

2004-03-7

Other Names

• Purine, 6-methyl-
• 6-Methylpurine
• 6-Methyl-1H-purine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	939.20	kJ/mol	NIST
BasG	907.30	kJ/mol	NIST
IE	[8.90; 9.30]	eV
IE	8.90	eV	NIST
IE	9.30	eV	NIST
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	0.179		Crippen Calculated Property
McVol	96.400	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 1H-Purine, 6-methyl-.

Sources

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

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