≥95% 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 | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CN=C2)Br |
|---|---|
| IUPAC Name | tert-butyl 4-(5-bromopyridine-3-carbonyl)piperazine-1-carboxylate |
| InChIKey | PPPSYWHMMPGYHY-UHFFFAOYSA-N |
| INCHI | 1S/C15H20BrN3O3/c1-15(2,3)22-14(21)19-6-4-18(5-7-19)13(20)11-8-12(16)10-17-9-11/h8-10H,4-7H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CN=C2)Br |
| PubChem CID | 25918702 |
| Peso molecular | 370.24 |
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 | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxylic acids |
| Alternative Parents | Pyridinecarboxylic acids and derivatives Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 370.240 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 369.069 Da |
| Monoisotopic Mass | 369.069 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |
