Synonym: 1,7-Dimethyl-1H-purine-2,6-dione-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3); 2,6-Dihydroxy-1,7-dimethylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3); Paraxanthine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)
CAS Number: 1173018-79-5
Empirical Formula (Hill Notation): 13C4C3H815N3NO2
Molecular Weight: 187.11
MDL Number: MFCD11656179
Linear Formula: 13C4C3H815N3NO2
Product Type: Chemical
| assay |
≥98% (CP) |
| form |
powder |
| 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 |
| isotopic purity |
≥98 atom % |
| mass shift |
M+7 |
| mp |
294-296 °C |
| SMILES string |
C[15N]1[13C](=O)[15NH][13c]2[15n]cn(C)[13c]2[13C]1=O |
| storage temp. |
−20°C |
| technique(s) |
mass spectrometry (MS): suitable |
| Packaging: |
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service  . |
| Symbol |
 GHS07 |
| Signal word |
Warning |
| Hazard statements |
H302 |
| Hazard Codes |
Xn |
| Risk Statements |
22 |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (CP) |
| mp |
294-296 °C |
| Storage Temp. |
−20°C |
| UNSPSC |
12352210 |
