1-Methylxanthine (2,4,5,6-13C4; 1,3,9-15N3)
| Catalog Number |
ACM1173018693 |
| CAS |
1173018-69-3 |
| Synonyms |
1-Methylxanthine-13C4,15N3; 1-Methylxanthine-2,4,5,6-13C4,15N3 |
| Molecular Weight |
173.09 |
| Molecular Formula |
13C4C2H615N3NO2 |
| InChI |
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1 |
| InChI Key |
MVOYJPOZRLFTCP-UDDVCBLJSA-N |
| Melting Point |
>300 °C (>=572 °F) |
| Appearance |
Light yellow powder |
| Chemical Purity |
98% |
| Isomeric SMILES |
C[15N]1[13C](=O)[13C]2=[13C]([15NH][13C]1=O)[15N]=CN2 |
| Isotopic Enrichment |
99 atom % 13C; 98 atom % 15N |
| Stability |
Stable if stored under recommended conditions. |
| Unlabeled CAS |
6136-37-4 |
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