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Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
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.
| Sonrisas canónicas | CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br.Cl |
|---|---|
| IUPAC Name | 6,7-dibromo-5-methyl-2-piperazin-1-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride |
| InChIKey | GQXLWUCQESKBSC-UHFFFAOYSA-N |
| INCHI | 1S/C15H18Br2N4.ClH/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20;/h18H,2-8H2,1H3;1H |
| Isómeros SMILES | CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br.Cl |
| CAS alternativo | 1609522-33-9 |
| Peso molecular | 414.14(free basis) |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Benzimidazoles Dialkylarylamines N-substituted imidazoles Benzenoids Aryl bromides Aminoimidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organobromides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Benzimidazole - Dialkylarylamine - Aminoimidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Secondary aliphatic amine - Azacycle - Secondary amine - Organohalogen compound - Hydrochloride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Sensibilidad | Light sensitive;Moisture sensitive |
|---|---|
| Peso molecular | 450.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 449.964 Da |
| Monoisotopic Mass | 447.966 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| 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 | 2 |
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