Chemical Properties of 7-Methylguanine (CAS 578-76-7)

InChI

InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

InChI Key

FZWGECJQACGGTI-UHFFFAOYSA-N

Formula

C6H7N5O

SMILES

Cn1cnc2[nH]c(N)nc(=O)c21

Molecular Weight¹

165.15

CAS

578-76-7

Other Names

• 2-Amino-1,7-dihydro-7-methyl-6H-purin-6-one
• 2-Amino-7-methyl-1,7-dihydro-6H-purin-6-one
• 2-Amino-7-methylhypoxanthine
• Guanine, 7-methyl
• Guanine, 7-methyl-
• N7-Methylguanine
• NSC 193444
• 6H-Purin-6-one, 2-amino-1,7-dihydro-7-methyl-

• 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

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, Ionization energy 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.

Similar Compounds

Find more compounds similar to 7-Methylguanine.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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