Octahydroindoline-2-carboxylic Acid Benzyl Ester Hydrochloride CAS 82717-97-3
| CAS No. | 82717-97-3 |
| Molecular Formula | C16H21NO2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Octahydroindoline-2-carboxylic Acid Benzyl Ester Hydrochloride (CAS 82717-97-3), molecular formula C16H21NO2HCl and molecular weight 295.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Octahydroindoline-2-carboxylic Acid Benzyl Ester Hydrochloride (C16H21NO2HCl) 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 295.81 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.
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 | C16H21NO2 HCl |
| Molecular Weight | 295.81 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2-Bromo-N-{3-[(2-phenylacetyl)amino]-phenyl}acetamide (CAS 1138443-17-0)
- 2-(4-Chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)-2,2-difluoroacetamide (CAS 339104-68-6)
- 3-[(3-Methylphenoxy)methyl]pyrrolidine (CAS 946682-22-0)
- 1-Phenyl-3-propylpiperidin-4-one (CAS 1822872-35-4)
- 4-Bromo-3-methylbenzenethiol (CAS 14395-52-9)
- 1-(4-Chlorobenzyl)tetrahydropyrimidin-2(1H)-one (CAS 34790-85-7)
- N-(5-amino-2-fluorophenyl)-3-methoxybenzamide (CAS 926219-38-7)
- tert-Butyl 3-(3,4-dimethylphenyl)-3-hydroxyazetidine-1-carboxylate (CAS 1497338-12-1)
- 2-(4-Phenoxyphenyl)propanoic acid (CAS 3585-53-3)
- Lixisenatide (CAS 320367-13-3)
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