4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride CAS 1864052-66-3
| CAS No. | 1864052-66-3 |
| Molecular Formula | C11H18N4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride (CAS 1864052-66-3) is a high-purity analytical reference standard with the molecular formula C11H18N4HCl and a molecular weight of 242.75 g/mol.
Based on its molecular formula C11H18N4HCl, 4-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]-2,3,6,7-tetrahydro-1H-azepine dihydrochloride contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 242.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C11H18N4 2*HCl |
| Molecular Weight | 242.75 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 2-Chloro-3-methoxypropionic acid (CAS 2544-05-0)
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- 5-(Trifluoromethyl)-3H-imidazo[4,5-b]pyridine-2-carboxylic acid (CAS 944900-30-5)
- tert-Butyl 4-[(2-amino-6-fluorophenoxy)methyl]piperidine-1-carboxylate (CAS 1286264-77-4)
- (R)-1-(4-bromophenyl)butan-1-amine (CAS 698379-35-0)
- Relugolix Impurity 81 (CAS CATO-C4X-242981)
- Semaglutide impurity 260 (CAS CATO-C4X-2226260)
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