Basic information
- CAS
1125-39-9- Standard SMILES
Cn1cnc2nc[nH]c2c1=O- InChIKey
KIQMCGMHGVXDFW-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Overview
1-methylhypoxanthine is a methylhypoxanthine that is hypoxanthine with the methyl group at position 1. It has a role as a human urinary metabolite and a rat metabolite.
Names & identifiers
- Preferred name
- 1-Methylhypoxanthine
- IUPAC
- 1-methyl-7H-purin-6-one
- English name
- 1-methylhypoxanthine
- Molecular formula
- C6H6N4O
- Molecular weight
- 0
Names & synonyms
1-Methylhypoxanthine1125-39-9Hypoxanthine, 1-methyl-1-methyl-6,7-dihydro-1H-purin-6-oneLX5WQ7JFR51,9-DIHYDRO-1-METHYL-6H-PURIN-6-ONENSC-57902CHEBI:73959DTXSID00150074RefChem:907704DTXCID50725651-methyl-1H-purin-6(9H)-one
Show more names
1-methyl-7H-purin-6-one1-methyl-1,9-dihydro-6H-purin-6-one6H-Purin-6-one,1,9-dihydro-1-methyl-6H-Purin-6-one, 1,7-dihydro-1-methyl-1-Methyl-1,9-dihydro-purin-6-one1,7-Dihydro-1-methyl-6H-Purin-6-one1-Methyl-Hypoxanthine1-methyl-6,9-dihydro-1H-purin-6-one
Database identifiers
- CAS
1125-39-9- PubChem CID
- 70765
- DTXSID
DTXSID00150074- ChEMBL
CHEMBL1868124- ChEBI
CHEBI:73959- UNII
- LX5WQ7JFR5
- Nikkaji
- J80.179H、J818.239F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 5 WQ7JFR5 · LX5WQ7JFR5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers5 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Additional notes
DefinitionChEBI: A methylhypoxanthine that is hypoxanthine with the methyl group at position 1.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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