rel-(2R,3aS,4R,6aS)-4,5,5-Trifluorooctahydropentalen-2-amine hydrochloride CAS 2786801-91-8
| CAS No. | 2786801-91-8 |
| Molecular Formula | C8H12F3N |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of rel-(2R,3aS,4R,6aS)-4,5,5-Trifluorooctahydropentalen-2-amine hydrochloride is closely related to fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
rel-(2R,3aS,4R,6aS)-4,5,5-Trifluorooctahydropentalen-2-amine hydrochloride (CAS 2786801-91-8), molecular formula C8H12F3NHCl and molecular weight 215.64 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H12F3NHCl, rel-(2R,3aS,4R,6aS)-4,5,5-Trifluorooctahydropentalen-2-amine hydrochloride contains fluorine/chlorine substitution; these features give the compound characteristic molecular-ion distribution patterns in mass spectrometry. The molecular weight of 215.64 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.
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 | C8H12F3N HCl |
| Molecular Weight | 215.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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