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9-Methylguanine - ≥98%, high purity , CAS No.5502-78-3

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9-Methylguanine - ≥98%, high purity , CAS No.5502-78-3

COA

Grade & Purity:

≥98%

Cas Number: 5502-78-3
Molecular Weight: 165.15
PubChem CID: 135403591
PubChem SID: 504773263

In stock

Item Number

M342134

Grouped product items
SKU	Size	Availability	Price	Qty
M342134-250mg	250mg	2	$228.90
M342134-1g	1g	1	$824.90

Basic Description

Synonyms	6H-Purin-6-one,9-dihydro-9-methyl- \| CAS-5502-78-3 \| BDBM50376364 \| Q27093477 \| 2-Amino-1,9-dihydro-9-methyl-6H-purin-6-one \| Tox21_202928 \| 1rrw \| STK768880 \| AKOS017343768 \| 9-Methylguanin \| SR-01000539655-1 \| BS-49385 \| EINECS 226-839-4 \| SDCCGMLS-0066
Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 Purinones
        Level6 Hypoxanthines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Purinones
Direct Parent	Hypoxanthines
Alternative Parents	6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pnp Purine nucleoside phosphorylase (4 Activities)

Discover Target: Pnp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773263
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773263
IUPAC Name	2-amino-9-methyl-1H-purin-6-one
INCHI	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
Smiles	CN1C=NC2=C1N=C(NC2=O)N
Isomeric SMILES	CN1C=NC2=C1N=C(NC2=O)N
WGK Germany	3
Molecular Weight	165.15
Reaxy-Rn	174008
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174008&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2323342	Certificate of Analysis	Nov 07, 2023	M342134
K2323343	Certificate of Analysis	Nov 07, 2023	M342134
K2323344	Certificate of Analysis	Nov 07, 2023	M342134
K2323345	Certificate of Analysis	Nov 07, 2023	M342134

Chemical and Physical Properties

Sensitivity	light & air sensitive
Melt Point(°C)	≥ 260° C (lit.)
Molecular Weight	165.150 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	165.065 Da
Monoisotopic Mass	165.065 Da
Topological Polar Surface Area	85.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	250.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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