HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7,9-Dihydro-3,9-dimethyl-1H-purin-2,6,8(3H)-trion
Einecs 259-640-6 · 3,9-DIMETHYLURIC ACID · 3,9-Dimethyl-7H-purine-2,6,8(1H,3H,9H)-trione · 3,9-Dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione · 7,9-dihydro-3,9-dimethyl-1H-purine-2,6,8(3H)-trione · 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-3,9-dimethyl- · 3,9-Dimethyl-3,9-dihydro-6,8-dihydroxy-2H-purin-2-one · 3,9-Dimethyl-3,7-dihydro-6-hydroxy-2H-purine-2,8(9H)-dione
Identifikatoren & physikalische Daten
| CAS No. | 55441-63-9 |
|---|---|
| Summenformel | C7H8N4O3 |
| Durchschnittliche Molmasse | 196,16 g/mol |
| Monoisotopische Masse | 196,05964013 g/mol |
| SMILES | Cn1c(=O)[nH]c(=O)c2[nH]c(=O)n(C)c21 |
| InChIKey | HCUXKVFCFSVKHK-UHFFFAOYSA-N |
| PubChem CID | 108713 |
| ChEBI | CHEBI:173966 |
| EC No. | 259-640-6 |
| DTXSID | DTXSID10204012 |
| Lokaler Name | 7,9-Dihydro-3,9-dimethyl-1H-purin-2,6,8(3H)-trion |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 386 |
| Physical Description | Solid |