4-(((3-Chlorophenyl)carbamoyl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride CAS 55-45-8
| CAS No. | 55-45-8 |
| Molecular Formula | C14H18ClN2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(((3-Chlorophenyl)carbamoyl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride.
4-(((3-Chlorophenyl)carbamoyl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride (CAS 55-45-8) is a high-purity analytical reference standard with the molecular formula C14H18ClN2O2Cl and a molecular weight of 317.21 g/mol.
Structurally, 4-(((3-Chlorophenyl)carbamoyl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride (C14H18ClN2O2Cl) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 317.21 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C14H18ClN2O2 Cl |
| Molecular Weight | 317.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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