3-Methylxanthine
ALDRICH/222526 - 98%
Synonym: 2,6-
CAS Number: 1076-22-8
Empirical Formula (Hill Notation): C6H6N4O2
Molecular Weight: 166.14
EC Number: 214-058-1
MDL Number: MFCD00005580
Linear Formula: C6H6N4O2
Product Type: Chemical
| assay | 98% |
| InChI | 1S/C6H6N4O2/c1-10-4-3(7-2 |
| InChI key | GMSNIKWWOQHZGF-UHFFFAOYSA |
| mp | >300 °C (lit.) |
| Quality Level | 200 ![]() |
| SMILES string | CN1C(=O)NC(=O)c2[nH]cnc12 |
| General description: | 3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method. |
| Packaging: | 1 g in glass bottle |
| Packaging: | 250 mg in glass insert |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 22-24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | >300 °C (lit.) |
| UNSPSC | 12352005 |


