3-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]-3-oxopropanenitrile CAS 568551-63-3
| CAS No. | 568551-63-3 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]-3-oxopropanenitrile (CAS 568551-63-3), molecular formula C12H14N2O and molecular weight 202.25 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]-3-oxopropanenitrile (C12H14N2O) 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 its high hydrophobicity (logP), 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.
As a certified reference material (CRM), 3-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]-3-oxopropanenitrile 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 | C12H14N2O |
| Molecular Weight | 202.25 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 2 |
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