5-(aminomethyl)isoxazol-3(2H)-one hydrochloride CAS 3579-03-1
| CAS No. | 3579-03-1 |
| Molecular Formula | C4H6N2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-(aminomethyl)isoxazol-3(2H)-one hydrochloride (CAS 3579-03-1), molecular formula C4H6N2O2HCl and molecular weight 150.56 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H6N2O2HCl, 5-(aminomethyl)isoxazol-3(2H)-one hydrochloride contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 150.56 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C4H6N2O2 HCl |
| Molecular Weight | 150.56 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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- 2-(Aminomethyl)benzoic acid hydrochloride (CAS 10017-39-7)
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- N-[3-[[4-(Aminomethyl)benzoyl]amino][1,1-biphenyl]-4-yl]carbamic Acid tert-Butyl Ester (CAS 1003316-12-8)
- 4-(Aminomethyl)phenol hydrochloride (CAS 1004-23-5)
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Recommended Standards
- 3-Bromo-5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine (CAS 2681395-32-2)
- (3-(Azetidine-1-carbonyl)phenyl)boronic acid (CAS 1219080-54-2)
- Methyl 4-hydroxy-5,6-dihydro-2H-pyran-3-carboxylate (CAS 910332-88-6)
- Baloxavir Marboxil Impurity243 (CAS CATO-C4X-2108243)
- Octadecanoic-18,18,18-d3 Acid (CAS 62163-39-7)
- tert-Butyl N-[(3S)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]carbamate (CAS 1448850-66-5)
- 5-(3-Fluoro-4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid (CAS 485798-67-2)
- 4-Iodo-3,5-dimethylpyridine (CAS 1803789-79-8)
- 6-((3-Chlorophenyl)amino)-[2,3'-bipyridine]-5-carboxylic acid (CAS 71204-02-9)
- Semaglutide-d5 (CAS CATO-C4X-2226153)
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