3-Carboxy-2-(icosanoyloxy)-N,N,N-trimethylpropan-1-aminium chloride CAS 149116-07-4
| CAS No. | 149116-07-4 |
| Molecular Formula | C27H54NO4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Carboxy-2-(icosanoyloxy)-N,N,N-trimethylpropan-1-aminium chloride (CAS 149116-07-4), molecular formula C27H54NO4Cl and molecular weight 492.18 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Carboxy-2-(icosanoyloxy)-N,N,N-trimethylpropan-1-aminium chloride (C27H54NO4Cl) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 492.18 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.
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 | C27H54NO4 Cl |
| Molecular Weight | 492.18 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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- 2-Butyryl-4-methylcyclohexan-1-one (CAS 1248267-83-5)
- 2-Chloro-4-formyl-3-methylbenzonitrile (CAS 1297544-91-2)
- Semaglutide impurity 201 (CAS CATO-C4X-2226201)
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