3-Methyl-2-[(4-nitro-1H-pyrrol-2-yl)formamido]butanoic acid CAS 1396967-34-2
| CAS No. | 1396967-34-2 |
| Molecular Formula | C10H13N3O5 |
| Molecular Weight | 255.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methyl-2-[(4-nitro-1H-pyrrol-2-yl)formamido]butanoic acid is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Methyl-2-[(4-nitro-1H-pyrrol-2-yl)formamido]butanoic acid (CAS 1396967-34-2), molecular formula C10H13N3O5 and molecular weight 255.23 g/mol, is a CATO reference standard with documented purity and traceability.
3-Methyl-2-[(4-nitro-1H-pyrrol-2-yl)formamido]butanoic acid (C10H13N3O5) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C10H13N3O5 |
| Molecular Weight | 255.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 3 |
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