1-Methylguanine - CAS 938-85-2

Catalog:	BB041120
Product Name:	1-Methylguanine
CAS:	938-85-2
Synonyms:	2-amino-1-methyl-7H-purin-6-one

Technical Data

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Computed Properties

IUPAC Name:	2-amino-1-methyl-7H-purin-6-one
Description:	1-Methylguanine is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C6H7N5O
Canonical SMILES:	CN1C(=O)C2=C(N=CN2)N=C1N
InChI:	InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChI Key:	RFLVMTUMFYRZCB-UHFFFAOYSA-N
Boiling Point:	526.5 °C at 760 mmHg
Melting Point:	≥300 °C
Purity:	95%
Density:	1.83 g/cm³
Appearance:	Light yellow powder
Storage:	2 - 8°C
MDL:	MFCD00042766
LogP:	-0.18000

Publication Number	Title	Priority Date
CN-113219106-A	System for non-invasive evaluation of intrauterine nutrition status of newborn and application thereof	20210601
US-11028379-B1	FCE mRNA capping enzyme compositions, methods and kits	20210127
US-11098295-B1	FCE mRNA capping enzyme compositions, methods and kits	20210127
CN-112229774-A	Method and device for detecting molecules	20201217
CN-112229774-B	Method and device for detecting molecules	20201217

PMID	Publication Date	Title	Journal
22512456	20120530	Exocyclic carbons adjacent to the N6 of adenine are targets for oxidation by the Escherichia coli adaptive response protein AlkB	Journal of the American Chemical Society
22291995	20120101	Novel AlkB dioxygenases--alternative models for in silico and in vivo studies	PloS one
22004173	20111122	Flavin-induced oligomerization in Escherichia coli adaptive response protein AidB	Biochemistry
22029400	20111121	Tobacco-specific nitrosamine-derived O2-alkylthymidines are potent mutagenic lesions in SOS-induced Escherichia coli	Chemical research in toxicology
21645853	20110608	Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions	Structure (London, England : 1993)

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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.06505986
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.06505986
Rotatable Bond Count:	0
Topological Polar Surface Area:	87.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9