Chemical Properties of 1H-Purin-6-amine, N-methyl- (CAS 443-72-1)

InChI

InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)

InChI Key

CKOMXBHMKXXTNW-UHFFFAOYSA-N

Formula

C6H7N5

SMILES

CNc1ncnc2[nH]cnc12

Molecular Weight¹

149.15

CAS

443-72-1

Other Names

• Adenine, N-methyl-
• N6-Methyladenine
• 6-(Methylamino)purine
• 6-Methyladenine
• 6-Monomethylaminopurine
• 6-MAP
• N6-Monomethyladenine
• NSC 11580
• 6-(N-Methylamino)purine
• methyl(purin-6-yl)amine

• Δ_subH : Enthalpy of sublimation at a given temperature (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
IE	[8.15; 8.39]	eV
IE	8.15	eV	NIST
IE	8.15	eV	NIST
IE	8.39	eV	NIST
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	-0.087		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Purin-6-amine, N-methyl-.

Sources

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

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