Benzyl 4-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride CAS 78718-46-4
| CAS No. | 78718-46-4 |
| Molecular Formula | C23H27N3O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Benzyl 4-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride (CAS 78718-46-4), molecular formula C23H27N3O4HCl and molecular weight 445.94 g/mol, is a CATO reference standard with documented purity and traceability.
Benzyl 4-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride (C23H27N3O4HCl) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 |
Recommended Standards
- 4-(Hydroxymethyl)-1-phenylpyrazolidin-3-one (CAS 30346-45-3)
- 1-(1-Methoxypropan-2-yl)-1h-1,2,4-triazol-3-amine (CAS 1343839-27-9)
- 1-(2-Aminophenyl)cyclobutanecarbonitrile (CAS 1314743-64-0)
- Acetic Acid-Phenyl Ester (CAS 122-79-2)
- 2-Bromo-5-methoxy-4-propoxybenzoic acid (CAS 1024326-35-9)
- 1-(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-imidazole-4-carboxylic acid (CAS 1707373-00-9)
- 3-(Diethylamino)oxetane-3-carboxylic acid (CAS 1785275-23-1)
- tert-Butyl 3-(4-fluorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate (CAS 1188265-33-9)
- Tert-butyl (tert-butoxycarbonyl)-L-cysteinate (CAS 98330-15-5)
- Calcitonin N-Terminal Flanking Peptide (human) (CAS 118277-01-3)
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