(S)-1-(3,5-difluorophenyl)-N-((S)-1-phenylethyl)ethan-1-amine phthalate CAS 444643-21-4
| CAS No. | 444643-21-4 |
| Molecular Formula | C16H17F2N |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(S)-1-(3,5-difluorophenyl)-N-((S)-1-phenylethyl)ethan-1-amine phthalate (CAS 444643-21-4), molecular formula C16H17F2NC8H6O4 and molecular weight 427.45 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (S)-1-(3,5-difluorophenyl)-N-((S)-1-phenylethyl)ethan-1-amine phthalate (C16H17F2NC8H6O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 427.45 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.
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 (S)-1-(3,5-difluorophenyl)-N-((S)-1-phenylethyl)ethan-1-amine phthalate 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 | C16H17F2N C8H6O4 |
| Molecular Weight | 427.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related S Standards
- 1-(1-(2,6-Difluorophenyl)-5-methyl-1H-1,2,4-triazol-3-yl)ethanone (CAS 1000572-09-7)
- (2,4-Difluorophenyl)methanesulfonamide (CAS 1001026-56-7)
- Methyl 2-(2,3-difluorophenyl)-2-hydroxyacetate (CAS 1001159-03-0)
- 2-(2,4-Difluorophenyl)cyclopropan-1-amine (CAS 1001318-18-8)
- (4R)-4-(2,4-difluorophenyl)pyrrolidine-3-carbonitrile (CAS 1002728-74-6)
- N-(2,5-Difluorophenyl)-3-methylbenzamide (CAS 1002813-62-8)
- 4-(3,5-Difluorophenyl)piperidinehydrochloride (CAS 1004618-89-6)
- 4-(2,3-difluorophenyl)piperidine hydrochloride (CAS 1004618-90-9)
Recommended Standards
- (R)-1-(3,5-dimethylphenyl)ethan-1-amine (CAS 737713-28-9)
- (4AS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]quinolin-8-ol (CAS 6961-52-0)
- 1-Methyl-5-(3-(trifluoromethyl)phenyl)pyrimidine-4(1H)-thione (CAS 62953-72-4)
- 3-Methyl-4-(4-methylpiperazine-1-carbonyl)aniline (CAS 1180131-77-4)
- 1-(3-Hydroxypiperidin-1-yl)-2-(p-tolyl)ethan-1-one (CAS 1156146-10-9)
- 1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile (CAS 2104345-90-4)
- 6,7-Dimethoxy-2-(3-nitrophenyl)-4H-benzo[d][1,3]oxazin-4-one (CAS 331461-74-6)
- 2-(4-Ethyl-2-fluorophenyl)-4,4-dimethyl-4,5-dihydrooxazole (CAS 755014-07-4)
- 3-(5,5-Dimethyl-2,4-dioxotetrahydropyrimidin-1(2H)-yl)propanoic acid (CAS 1338495-13-8)
- Semaglutide impurity 84 (CAS CATO-C4X-222684)
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