≥98% 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 | CCN1CCN(CC1)C2=C(C=C(C=N2)C)Br |
|---|---|
| IUPAC Name | 1-(3-bromo-5-methylpyridin-2-yl)-4-ethylpiperazine |
| InChIKey | RLXHWKLZSIIZPG-UHFFFAOYSA-N |
| INCHI | 1S/C12H18BrN3/c1-3-15-4-6-16(7-5-15)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3 |
| Isomeric SMILES | CCN1CCN(CC1)C2=C(C=C(C=N2)C)Br |
| PubChem CID | 46739810 |
| Molecular Weight | 284.2 |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Dialkylarylamines N-alkylpiperazines Methylpyridines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Pyridinylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - N-alkylpiperazine - Aryl bromide - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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 | 284.200 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 283.068 Da |
| Monoisotopic Mass | 283.068 Da |
| Topological Polar Surface Area | 19.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |
