3-(3-(((Dimethylamino)methylene)amino)-2,4,6-triiodophenyl)propanoic acid CAS 5587-89-3
| CAS No. | 5587-89-3 |
| Molecular Formula | C12H13I3N2O2 |
| Molecular Weight | 597.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-(3-(((Dimethylamino)methylene)amino)-2,4,6-triiodophenyl)propanoic acid (C12H13I3N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine 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 597.96 g/mol, it falls into the moderately-high-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.
CATO supplies 3-(3-(((Dimethylamino)methylene)amino)-2,4,6-triiodophenyl)propanoic acid (CAS 5587-89-3), a certified reference material (molecular formula C12H13I3N2O2, MW 597.96 g/mol) for analytical method development and quality control.
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.
As a certified reference material (CRM), 3-(3-(((Dimethylamino)methylene)amino)-2,4,6-triiodophenyl)propanoic acid 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 | C12H13I3N2O2 |
| Molecular Weight | 597.96 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Related Dimethylamino Standards
- N-[1-[[2-(Dimethylamino)ethyl]amino]-2-methyl-1-oxo-2-propyl]-4-[4-[2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)-2-tetrahydropyranyl]benzyl]phenyl]butanamide (CAS 1610954-97-6)
- N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-urea (CAS 1197160-78-3)
- 4-(4-(2-(3-((Dimethylamino)methyl)phenyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)aniline (CAS 1415560-01-8)
- 3-((2-(4-(Dimethylamino)phenyl)quinolin-6-yl)oxy)-2-((tetrahydro-2H-pyran-2-yl)oxy)propyl 4-methylbenzenesulfonate (CAS 1374107-64-8)
- (S)-3-(1-((5-(Dimethylamino)naphthalen-1-yl)sulfonyl)-1H-imidazol-4-yl)-2-(5-(dimethylamino)naphthalene-1-sulfonamido)propanoic acid (CAS 1110-87-8)
- (1-(6-((5-(4-(Dimethylamino)piperidin-1-yl)pyridin-2-yl)amino)-2-((4-fluorophenyl)amino)pyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl)methanol (CAS 2225887-26-1)
- N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)acrylamide (CAS 1869057-83-9)
- 7-(4-(Dimethylamino)benzoyl)-1,3-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 4-(4-chlorophenethyl)piperidine-1-carboxylate (CAS 1831135-30-8)
Recommended Standards
- Lysolipin I (CAS 59113-57-4)
- Bismuth(III) carbonate (CAS 16508-95-5)
- 5,10,15-Trihexyl-10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (CAS 1020085-72-6)
- N-(3-(Hexadecyloxy)-2-hydroxypropyl)-N-(2-hydroxyethyl)palmitamide (CAS 110483-07-3)
- Ethyl 3-(diethylamino)-3-(2,5-dimethyl-1H-pyrrol-3-yl)acrylate (CAS 960-88-3)
- 2-((2-Phenyl-1H-indol-3-yl)thio)acetic acid (CAS 54466-89-6)
- Methyl 4-(6-chloro-2-methylpyridin-3-yl)benzoate (CAS 1820685-76-4)
- Dequalinium impurity 33 (CAS CATO-C4X-193633)
- (S)-2-Amino-N-(3-chlorobenzyl)-N-isopropylpropanamide (CAS 1292746-39-4)
- 1,5,9-Decatriene (CAS 39139-91-8)
- 4-(3-Bromothiophen-2-yl)-2-phenyl-1,3-thiazole (CAS 478260-68-3)
- 2-Methylmorpholin-3-one (CAS 13882-80-9)
- 41891-54-7 Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate Triethyl 3-Methyl-4-phosphonocrotonate;Triethyl (2E)-3-Methyl-4-phosphonocrotonate BCP21091 (CAS 41891-54-7)
- Semaglutide impurity 108 (CAS CATO-C4X-2226108)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com