3-[1,4]Diazepan-1-yl-2,2-dimethylpropionic acid methyl ester dihydrochloride CAS 2204912-89-8
| CAS No. | 2204912-89-8 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[1,4]Diazepan-1-yl-2,2-dimethylpropionic acid methyl ester dihydrochloride (CAS 2204912-89-8) is a high-purity analytical reference standard with the molecular formula C11H22N2O2HCl and a molecular weight of 250.77 g/mol.
Structurally, 3-[1,4]Diazepan-1-yl-2,2-dimethylpropionic acid methyl ester dihydrochloride (C11H22N2O2HCl) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 250.77 g/mol, it falls into the medium-molecular-weight range. 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.
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 | C11H22N2O2 2*HCl |
| Molecular Weight | 250.77 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Diazepan Standards
- 2-[3-(1,4-Diazepan-1-yl)propyl]-2,3-dihydro-1h-isoindole-1,3-dione (CAS 1000511-61-4)
- 6-(4-Benzyl-1,4-diazepan-1-yl)nicotinonitrile (CAS 1007753-86-7)
- 2-[(1,4-Diazepan-1-yl)methyl]benzonitrile (CAS 1016677-87-4)
- 1-(1,4-Diazepan-1-yl)pentan-1-one (CAS 1016678-88-8)
- 1-(1,4-Diazepan-1-yl)-3-(4-methoxyphenyl)propan-1-one (CAS 1016684-28-8)
- 1-(1,4-Diazepan-1-yl)-2-(3-fluorophenyl)ethan-1-one (CAS 1016713-62-4)
- 1-(1,4-Diazepan-1-yl)-2-ethylbutan-1-one (CAS 1016723-43-5)
- 4-(1,4-Diazepan-1-yl)butanenitrile (CAS 1016744-05-0)
Recommended Standards
- 1-[(2-aminophenyl)methyl]pyrrolidine-2-carboxamide (CAS 1251922-83-4)
- 1-(4-Methylbenzoyl)-3-phenyl-1,4,5,6-tetrahydropyridazine (CAS 159799-40-3)
- 4-(3-Fluorophenoxy)aniline hydrochloride (CAS 1185147-52-7)
- 9-Fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride (CAS 1432682-02-4)
- 1-Methoxypiperidin-4-ol (CAS 93841-20-4)
- 2-Chloro-1-(4-hydroxy-3-methylphenyl)ethanone (CAS 40943-24-6)
- (R)-3-Methyl-1,4-diazepan-2-one (CAS 790207-81-7)
- 4-(4-chlorophenyl)-2-hydrazino-1,3-thiazole,HCl (CAS 936114-00-0)
- Indacaterol Impurity 89 (CAS CATO-C4X-150089)
- Eledoisin Related Peptide (CAS 2990-43-4)
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