for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)Br |
|---|---|
| IUPAC Name | 6-bromo-4-piperazin-1-ylquinoline |
| InChIKey | BBICIXDOMKPLKH-UHFFFAOYSA-N |
| INCHI | 1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 |
| Isomeric SMILES | C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)Br |
| WGK Germany | 3 |
| Molecular Weight | 292.17 |
| Reaxy-Rn | 14213074 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14213074&ln= |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Haloquinolines 4-aminoquinolines Dialkylarylamines Aminopyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Pyridinylpiperazine - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Quinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 292.170 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 291.037 Da |
| Monoisotopic Mass | 291.037 Da |
| Topological Polar Surface Area | 28.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |
