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9-Methylguanine
[CAS# 5502-78-3]

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Identification
Name 9-Methylguanine
Synonyms 2-Amino-1,9-Dihydro-9-Methyl-6H-Purin-6-One; 6H-Purin-6-One, 2-Amino-1,9-Dihydro-9-Methyl- (9Ci); 9-Methylguanine
Molecular Formula C6H7N5O
Molecular Weight 165.15
CAS Registry Number 5502-78-3
EINECS 226-839-4
SMILES C1=NC2=C([N]1C)NC(=NC2=O)N
InChI 1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChIKey UUWJNBOCAPUTBK-UHFFFAOYSA-N
Properties
Density 1.831g/cm3 (Cal.)
Boiling point 503.935°C at 760 mmHg (Cal.)
Flash point 258.571°C (Cal.)
Safety Data
SDS Available
References
(1) Fabrizio Santoro, Vincenzo Barone, Alessandro Lami and Roberto Improta. The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study, Phys. Chem. Chem. Phys., 2010, 12, 4934.
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