2-(3-(Triethylammonio)propyl)isoquinolin-2-ium bromide CAS 64047-69-4
| CAS No. | 64047-69-4 |
| Molecular Formula | C18H28N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(3-(Triethylammonio)propyl)isoquinolin-2-ium bromide (C18H28N2Br) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 352.34 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.
CATO supplies 2-(3-(Triethylammonio)propyl)isoquinolin-2-ium bromide (CAS 64047-69-4), a certified reference material (molecular formula C18H28N2Br, MW 352.34 g/mol) for analytical method development and quality control.
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 | C18H28N2 2*Br |
| Molecular Weight | 352.34 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Triethylammonio Standards
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- 4-Bromo-2-cyclopropoxy-N-methylaniline (CAS 1243286-45-4)
- Semaglutide impurity 74 (CAS CATO-C4X-222674)
Why CATO?
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