Methyl 3-(piperidin-3-yl)benzoate hydrochloride CAS 79412-52-5
| CAS No. | 79412-52-5 |
| Molecular Formula | C13H17NO2 |
| 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.
CATO supplies Methyl 3-(piperidin-3-yl)benzoate hydrochloride (CAS 79412-52-5), a certified reference material (molecular formula C13H17NO2HCl, MW 255.74 g/mol) for analytical method development and quality control.
Structurally, Methyl 3-(piperidin-3-yl)benzoate hydrochloride (C13H17NO2HCl) 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 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 255.74 g/mol, it falls into the medium-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.
Physical & Chemical Properties
| Molecular Formula | C13H17NO2 HCl |
| Molecular Weight | 255.74 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 1000339-76-3 Ethyl 2-(Piperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate ethyl 2-(piperidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate ethyl 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CAS 1000339-76-3)
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