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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1CCC(CC1)N(C)CC2=C(C(=CC(=C2)I)I)O |
|---|---|
| IUPAC Name | 2,4-diiodo-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol |
| InChIKey | IAJFTEUXEMKNJL-UHFFFAOYSA-N |
| INCHI | 1S/C14H20I2N2O/c1-17-5-3-12(4-6-17)18(2)9-10-7-11(15)8-13(16)14(10)19/h7-8,12,19H,3-6,9H2,1-2H3 |
| Isomeric SMILES | CN1CCC(CC1)N(C)CC2=C(C(=CC(=C2)I)I)O |
| PubChem CID | 2845841 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | P-iodophenols O-iodophenols Benzylamines Iodobenzenes Aralkylamines Aminopiperidines Aryl iodides Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - 4-halophenol - Phenylmethylamine - 4-iodophenol - 2-halophenol - 2-iodophenol - 4-aminopiperidine - Halobenzene - Aralkylamine - Phenol - Iodobenzene - Aryl halide - Aryl iodide - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Molecular Weight | 486.130 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 485.967 Da |
| Monoisotopic Mass | 485.967 Da |
| Topological Polar Surface Area | 26.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |