1-(4-((tert-Butylamino)methyl)-2-chlorophenyl)ethanone oxalate CAS 1956335-68-4
| CAS No. | 1956335-68-4 |
| Molecular Formula | C13H18ClNO |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(4-((tert-Butylamino)methyl)-2-chlorophenyl)ethanone oxalate (CAS 1956335-68-4), molecular formula C13H18ClNOC2H2O4 and molecular weight 329.78 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(4-((tert-Butylamino)methyl)-2-chlorophenyl)ethanone oxalate (C13H18ClNOC2H2O4) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 329.78 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-(4-((tert-Butylamino)methyl)-2-chlorophenyl)ethanone oxalate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H18ClNO C2H2O4 |
| Molecular Weight | 329.78 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related tert Standards
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- 1,5-Bis(butylamino)anthracene-9,10-dione (CAS 100693-82-1)
- 2-(Tert-butylamino)-N-(2-methoxy-5-methylphenyl)acetamide (CAS 1007821-96-6)
- 2-((tert-Butylamino)methyl)-5-((7-chloroquinolin-4-yl)amino)phenol dihydrochloride (CAS 1010411-21-8)
- 2-((5-(Butylamino)-1,3,4-thiadiazol-2-yl)thio)-N-(1-cyanocyclohexyl)-N-methylacetamide (CAS 1012170-55-6)
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Recommended Standards
- (2-(Cyclopentyloxy)pyridin-4-yl)boronic acid (CAS 2225177-11-5)
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- 7-Chloro-6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 117713-49-2)
- (R)-1-(2-Fluorobenzyl)pyrrolidin-3-amine dihydrochloride (CAS 876162-23-1)
- 2-((5-(3-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-isopropylphenyl)acetamide (CAS 849029-69-2)
- N-(4-Butoxyphenyl)-2-(2-mercapto-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide (CAS 1142206-89-0)
- (R)-3,3,3-Trifluoro-1-phenyl-2-propylamine hydrochloride (CAS 189350-65-0)
- (4-(3-Methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)methanamine (CAS 875001-46-0)
- (Des-Thr?)-Glucagon trifluoroacetate salt (CAS 1802078-27-8)
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