4-((5-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid CAS 900011-58-7
| CAS No. | 900011-58-7 |
| Molecular Formula | C16H22ClN3O3 |
| Molecular Weight | 339.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-((5-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (C16H22ClN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 339.82 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-((5-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 900011-58-7), molecular formula C16H22ClN3O3 and molecular weight 339.82 g/mol, is a CATO reference standard with documented purity and traceability.
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-((5-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid 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 | C16H22ClN3O3 |
| Molecular Weight | 339.82 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- 6-Bromo-3-(trifluoromethyl)benzo[b]thiophene (CAS 617706-27-1)
- 6-(3,5-Dimethylmorpholino)pyridazin-3-amine (CAS 736879-79-1)
- BT2 (CAS 34576-94-8)
- Febuxostat Impurity 38 (CAS 528607-60-5)
- (R)-6-(1-Aminoethyl)pyridin-2-amine (CAS 1213525-93-9)
- (6-chloropyridin-2-yl)methanamine (CAS 188637-75-4)
- 4-Fluoro-1-methyl-1H-pyrazol-3-amine (CAS 1935524-77-8)
- 5-Acetylpyrazine-2-carboxylic acid (CAS 118543-96-7)
- 2-Hydroxy-2-(4-methylcyclohexyl)acetic acid (CAS 861575-64-6)
- (Leu31,Pro3?)-Neuropeptide Y (porcine) trifluoroacetate salt (CAS 125580-28-1)
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