≥98% 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(S2)Cl |
|---|---|
| IUPAC Name | tert-butyl 4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine-1-carboxylate |
| InChIKey | FLJJYGKPZMEOFS-UHFFFAOYSA-N |
| INCHI | 1S/C13H20ClN3O2S/c1-13(2,3)19-12(18)17-6-4-16(5-7-17)9-10-8-15-11(14)20-10/h8H,4-7,9H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(S2)Cl |
| PubChem CID | 45789026 |
| Molecular Weight | 317.83 |
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 | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxylic acids |
| Alternative Parents | N-alkylpiperazines Aralkylamines 2,5-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - 2,5-disubstituted 1,3-thiazole - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Carbamic acid ester - Thiazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 317.840 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 317.096 Da |
| Monoisotopic Mass | 317.096 Da |
| Topological Polar Surface Area | 73.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
