rel-(1R,3S)-1-(Aminomethyl)-3-phenylisochromane-5,6-diol hydrochloride CAS 130465-39-3
| CAS No. | 130465-39-3 |
| Molecular Formula | C16H17NO3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including rel-(1R,3S)-1-(Aminomethyl)-3-phenylisochromane-5,6-diol hydrochloride.
rel-(1R,3S)-1-(Aminomethyl)-3-phenylisochromane-5,6-diol hydrochloride (CAS 130465-39-3), molecular formula C16H17NO3HCl and molecular weight 307.77 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, rel-(1R,3S)-1-(Aminomethyl)-3-phenylisochromane-5,6-diol hydrochloride (C16H17NO3HCl) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 307.77 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H17NO3 HCl |
| Molecular Weight | 307.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2-(5-(3,4-Dimethoxyphenyl)-4-nitro-1H-pyrazol-1-yl)ethanol (CAS 1708436-72-9)
- methyl 2-(3-hydroxyphenyl)-2-methylpropanoate (CAS 149490-75-5)
- S-(4-(trifluoromethyl)benzyl) O-((2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl) (Z)-(4-(trifluoromethyl)phenyl)carbonimidothioate (CAS 468095-63-8)
- 2-(Difluoromethyl)-4-fluoro-5-methoxypyridine-3-sulfonamide (CAS 1806977-13-8)
- N-(2-oxobutyl)benzamide (CAS 17136-94-6)
- Trestolone acetate (CAS 6157-87-5)
- benZyl 3,5-dimethylpyrrole-2-carboxylate (CAS 40236-19-9)
- 7-Bromo-2-phenylbenzo[d]thiazole (CAS 36247-07-1)
- 1-(2-(Tetrahydrofuran-2-yl)ethyl)-1h-pyrazol-3-amine (CAS 1493156-35-6)
- Semaglutide Impurity 191 (CAS CATO-C4X-2226191)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com