2-Bromo-n-(3-acetamidophenyl)-3-methylbutanamide CAS 1016772-54-5
| CAS No. | 1016772-54-5 |
| Molecular Formula | C13H17BrN2O2 |
| Molecular Weight | 313.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-Bromo-n-(3-acetamidophenyl)-3-methylbutanamide (CAS 1016772-54-5) is a high-purity analytical reference standard with the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol.
Structurally, 2-Bromo-n-(3-acetamidophenyl)-3-methylbutanamide (C13H17BrN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 313.19 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H17BrN2O2 |
| Molecular Weight | 313.19 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, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 4-(Benzyloxy)-3-chloro-5-ethoxybenzaldehyde (CAS 834907-52-7)
- 4-(4-Isopropylphenyl)-2-methylthiazole-5-carboxylic acid (CAS 1188184-71-5)
- (R)-3-(Cyclopropylmethyl)morpholine (CAS 1336031-72-1)
- 6,10-Dihydroxy-8-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro[4.5]decane-7,9-dione (CAS 658701-59-8)
- 2-(4-Propyl-1H-indol-3-yl)acetic acid (CAS 191675-12-4)
- Tirzepatide Impurity 61 (CAS CATO-C4X-324061)
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