4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.0²⁶]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile CAS 2098902-68-0
| CAS No. | 2098902-68-0 |
| Molecular Formula | C11H17N5O |
| Molecular Weight | 235.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.0²⁶]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.0²⁶]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile (CAS 2098902-68-0), molecular formula C11H17N5O and molecular weight 235.29 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.0²⁶]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile (C11H17N5O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 4-methyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.0²⁶]trideca-1(9),3,5,10,12-pentaene-5-carbonitrile 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 | C11H17N5O |
| Molecular Weight | 235.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Nitrogen Atoms | 5 |
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