Caffeine-13C3 CAS 78072-66-9
| CAS No. | 78072-66-9 |
| Molecular Formula | C5[13C]3H10N4O2 |
| Molecular Weight | 197.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Caffeine-13C3.
Caffeine-13C3 (CAS 78072-66-9) is a high-purity analytical reference standard with the molecular formula C5[13C]3H10N4O2 and a molecular weight of 197.17 g/mol.
Structurally, Caffeine-13C3 (C5[13C]3H10N4O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 197.17 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Caffeine-13C3 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C5[13C]3H10N4O2 |
| Molecular Weight | 197.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Nitrogen Atoms | 4 |
Related Caffeine Standards
Recommended Standards
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- 4,4′-[[(1E)-1,2-Diphenyl-1,2-ethenediyl]di-4,1-phenylene]bis[pyridine] (CAS 2131742-57-7)
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- 4-Amino-1-methyl-3-propyl-1h-pyrazol-5-ol (CAS 1481238-13-4)
- N-(2-(cycloheptylamino)ethyl)furan-2-carboxamide (CAS 797031-41-5)
- Tert-butyl (S)-5-amino-2-azaspiro[3.3]Heptane-2-carboxylate (CAS 2381334-14-9)
- 2-(P-tolyloxy)propanehydrazide (CAS 83798-16-7)
- Ethyl 7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine-5-carboxylate (CAS 1314390-80-1)
- Dimethyl 2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate (CAS 219701-24-3)
- 5-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione (CAS 20877-81-0)
- Integrin Binding Peptide trifluoroacetate salt (CAS 278792-07-7)
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