Benzyl 2-((trans-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochloride CAS 78718-25-9
| CAS No. | 78718-25-9 |
| Molecular Formula | C23H27N3O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 445.94 g/mol gives Benzyl 2-((trans-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Benzyl 2-((trans-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochloride (CAS 78718-25-9) is a high-purity analytical reference standard with the molecular formula C23H27N3O4HCl and a molecular weight of 445.94 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Benzyl 2-((trans-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate hydrochloride is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 445.94 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C23H27N3O4 HCl |
| Molecular Weight | 445.94 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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