Benzyl 3-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride CAS 78718-18-0
| CAS No. | 78718-18-0 |
| Molecular Formula | C23H27N3O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C23H27N3O4HCl, Benzyl 3-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 445.94 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Benzyl 3-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride (CAS 78718-18-0), molecular formula C23H27N3O4HCl and molecular weight 445.94 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), Benzyl 3-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate hydrochloride meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
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
- Methyl 2-chloropent-4-enoate (CAS 959041-29-3)
- Tert-butyl 2-azido-2-methylpropanoate (CAS 1639467-11-0)
- Methyl 2-(chloromethyl)-1-methyl-1H-benzo[d]imidazole-6-carboxylate (CAS 1774370-74-9)
- 1-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazol-5-amine (CAS 1415719-24-2)
- 4-(Methyl(phenyl)amino)butanoic acid (CAS 26488-79-9)
- Methyl (1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate (CAS 1702381-37-0)
- 4-Hydroxy-5-methyl-2-(pyridin-3-yl)quinoline-3-carbonitrile (CAS 1251033-70-1)
- 4-((3-Nitrobenzyl)amino)-4-oxobutanoic acid (CAS 910443-57-1)
- 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CAS 41248-08-2)
- (9-D-Asp) Semaglutide X Sodium salt (CAS CATO-CPTD788617)
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