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7-Methylguanine

CAT: 0862-GW0899-500mgSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0862-GW0899-500mgSize:500 mg
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CAS Number
578-76-7
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

7-Methylguanine

2-amino-7-methyl-7H-purin-6-ol is a 7-methylguanine that is 7H-purine substituted by an amino group at position 2, a methyl group at position 7 and a hydroxy group at position 6. It is a tautomer of a 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one and a 2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one.

CAS Number578-76-7
PubChem CID135398679
IUPAC Name2-amino-7-methyl-1H-purin-6-one
Molecular FormulaC6H7N5O
Molecular Weight165.15
XLogP-1.1
Topological Polar Surface Area85.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity250
SMILES
CN1C=NC2=C1C(=O)NC(=N2)N
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)
InChIKey
FZWGECJQACGGTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methylguanine
CAS: 578-76-7
CID: 135398679
Formula: C6H7N5O
MW: 165.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.15
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass165.06505986
Monoisotopic Mass165.06505986
Topological Polar Surface Area85.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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