Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4 |
|---|---|
| IUPAC Name | 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline |
| InChIKey | LXFHSCDLMBZYKY-UHFFFAOYSA-N |
| INCHI | 1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3 |
| Isómeros SMILES | CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4 |
| PubChem CID | 2689 |
| Peso molecular | 334.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinoxalines |
| Direct Parent | Pyrroloquinoxalines |
| Alternative Parents | N-arylpiperazines Pyrrolopyrazines Dialkylarylamines N-methylpiperazines Aminopyrazines Imidolactams Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrroloquinoxaline - N-arylpiperazine - Pyrrolopyrazine - Dialkylarylamine - Aminopyrazine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrazine - Imidolactam - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Amine - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrroloquinoxalines. These are organic heterocyclic compounds containing a pyrrole ring fused to a quinoxaline ring system. |
| External Descriptors | organofluorine compound - N-arylpiperazine - pyrroloquinoxaline |
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| Peso molecular | 334.340 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 334.141 Da |
| Monoisotopic Mass | 334.141 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 450.000 |
| 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 |
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