Chemical Properties of 1H-Purin-6-amine, N-methyl-

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

149.16

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).
• T_fus : Normal melting (fusion) point (K).
• 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	-2.55		Relay (1.0) Calculated Property
logPoct/wat	-0.087		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Tfus	510.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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