1,7-Dimethylhypoxanthine
Completing data — refresh the page later to see the latest
Basic information
- CAS
33155-83-8- Standard SMILES
Cn1cnc2ncn(C)c2c1=O- InChIKey
ZIVNUESELYYTHV-UHFFFAOYSA-N- Molecular formula
- C7H8N4O
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06981089
Names & identifiers
- Preferred name
- 1,7-Dimethylhypoxanthine
- IUPAC
- 1,7-dimethylpurin-6-one
- English name
- 1,7-dihydro-1,7-dimethyl-6H-purin-6-one
- Molecular formula
- C7H8N4O
- Molecular weight
- 164.16
Names & synonyms
1,7-DimethylhypoxanthineHypoxanthine, 1,7-dimethyl-6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl-UNII-J9IVN575QZ1,7-Dihydro-1,7-dimethyl-6H-purin-6-oneJ9IVN575QZEINECS 251-395-3NSC 26296NSC-26296DTXSID90186802DIMETHYLHYPOXANTHINE, 1,7-RefChem:73688
Show more names
DTXCID90109293Hypoxanthine, 1,7-dimethyl-(8CI)6H-Purin-6-one, 1,7-dihydro-1,7-dimethyl-(9CI)ZIVNUESELYYTHV-UHFFFAOYSA-N33155-83-81,7-dimethyl-1H-purin-6(7H)-one1,7-dimethyl-6,7-dihydro-1H-purin-6-one6H-Purin-6-one,1,7-dihydro-1,7-dimethyl-
Database identifiers
- CAS
33155-83-8- PubChem CID
- 92289
- DTXSID
DTXSID90186802- UNII
- J9IVN575QZ
- EC Number
- 251-395-3
- Nikkaji
- J3.177A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 245 · 245-246 °C
- Boiling point
- 415.1 · 415.1±37.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.50(Predicted)
- FDA UNII
- 9 IVN575QZ · J9IVN575QZ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…