N-(3,4-Dimethoxyphenethyl)-N-methyl-3-((5-phenyl-1,2,4-thiadiazol-3-yl)oxy)propan-1-amine hydrochloride CAS 181936-98-1
| CAS No. | 181936-98-1 |
| Molecular Formula | C22H27N3O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-(3,4-Dimethoxyphenethyl)-N-methyl-3-((5-phenyl-1,2,4-thiadiazol-3-yl)oxy)propan-1-amine hydrochloride.
CATO supplies N-(3,4-Dimethoxyphenethyl)-N-methyl-3-((5-phenyl-1,2,4-thiadiazol-3-yl)oxy)propan-1-amine hydrochloride (CAS 181936-98-1), a certified reference material (molecular formula C22H27N3O3SHCl, MW 449.99 g/mol) for analytical method development and quality control.
Structurally, N-(3,4-Dimethoxyphenethyl)-N-methyl-3-((5-phenyl-1,2,4-thiadiazol-3-yl)oxy)propan-1-amine hydrochloride (C22H27N3O3SHCl) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 449.99 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C22H27N3O3S HCl |
| Molecular Weight | 449.99 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2008 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related N Standards
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- 2-((3,4-Dimethoxyphenethyl)carbamoyl)benzoic acid (CAS 101730-66-9)
- 1-(3,4-Dimethoxyphenethyl)-5-oxopyrrolidine-3-carbonitrile (CAS 1017458-04-6)
- N-(3,4-dimethoxyphenethyl)-3,4-dimethoxybenzamide (CAS 102011-15-4)
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Recommended Standards
- 696648-50-7 4-[(4-Morpholin-4-ylphenyl)amino]-4-oxobutanoic acid MFCD03834544 (CAS 696648-50-7)
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- tert-Butyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (CAS 1002309-89-8)
- 8-Amino-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol (CAS 2126161-11-1)
- 1-Chloro-2-((2-fluorobenzyl)oxy)-4-(trifluoromethyl)benzene (CAS 1443314-35-9)
- 4-Fluoro-2H-spiro[benzofuran-3,4'-piperidine] hydrochloride (CAS 1138521-56-8)
- (2R)-2-methylazetidin-3-ol (CAS 2231670-06-5)
- (S)-tert-Butyl 3-(4-(2-(tosyloxy)ethoxy)phenyl)-2-(tritylamino)propanoate (CAS 478037-15-9)
- Ethyl (E)-2-(4-chlorophenyl)-7-(2-(dimethylamino)vinyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 1306753-57-0)
- Neuropeptide FF (5-8) (CAS 152050-35-6)
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