| Catalog Number |
ACM1173018795 |
| CAS |
1173018-79-5 |
| Synonyms |
1,7-Dimethylxanthine-2,4,5,6-13C4-1,3,9-15N3; 1,7-Dimethylxanthine-[13C4,15N3] (para-xanthine) |
| Molecular Weight |
187.12 |
| Molecular Formula |
13C4C3H815N3NO2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1 |
| InChI Key |
QUNWUDVFRNGTCO-UDYOVZSYSA-N |
| Melting Point |
294-296 °C (561-565 °F) |
| Appearance |
Crystal |
| Chemical Purity |
98% |
| Isomeric SMILES |
CN1C=[15N][13C]2=[13C]1[13C](=O)[15N]([13C](=O)[15NH]2)C |
| Isotopic Enrichment |
98 atom % 13C; 98 atom % 15N |
| Stability |
Stable if stored under recommended conditions. |
| Unlabeled CAS |
611-59-6 |
| Unlabeled Synonyms |
1,7-Dimethyl-1H-purine-2,6-dione; 2,6-Dihydroxy-1,7-dimethylpurine; Paraxanthine |
