2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride CAS 1396965-14-2
| CAS No. | 1396965-14-2 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride (CAS 1396965-14-2), molecular formula C12H16ClNO2HCl and molecular weight 278.17 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 278.17 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
CATO manufactures 2-{[(4-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H16ClNO2 HCl |
| Molecular Weight | 278.17 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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- N-(2-Chlorophenyl)-5-methyl-1-phenyl-1H-1,2,4-triazole-3-carboxamide (CAS 1000572-01-9)
- N-(2-Chlorophenyl)-5-oxo-1-(p-tolyl)-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000573-94-3)
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- Benzyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000577-09-2)
- 1-(2-Chlorophenyl)-5-oxo-N-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000577-29-6)
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Recommended Standards
- Methyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylate (CAS 1257535-36-6)
- Nectandrin B (CAS 74683-16-2)
- (E)-3-(3,6-Diethylpyrazin-2-yl)acrylonitrile (CAS 108290-48-8)
- (R)-1-(2-Benzamidoacetyl)pyrrolidine-2-carboxamide (CAS 177433-42-0)
- 6-Fluoro-N-(3-(methylthio)propyl)pyridin-2-amine (CAS 1343329-61-2)
- 2-(4-(Dimethylamino)piperidin-1-yl)-3-fluorobenzaldehyde (CAS 1707580-93-5)
- 5-(3-Chloro-4-methoxyphenyl)furan-2-carboxylic acid (CAS 443124-74-1)
- Piperidin-3-yl N,N-dimethylcarbamate (CAS 1543067-72-6)
- 2-(Aminomethyl)-3-bromo-4-(difluoromethyl)-5-hydroxypyridine (CAS 1804659-23-1)
- Biotinyl-Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 213779-13-6)
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