≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504766769 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766769 |
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br |
| IUPAC Name | tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate |
| InChIKey | QKIPWYSRBGTXRG-UHFFFAOYSA-N |
| INCHI | 1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br |
| Molecular Weight | 341.2 |
| Reaxy-Rn | 9405454 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9405454&ln= |
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 | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Carbamate esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2302327 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302330 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302340 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302400 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302406 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302414 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302417 | Certificate of Analysis | May 11, 2026 | B183947 |
| H2302418 | Certificate of Analysis | May 11, 2026 | B183947 |
| Sensitivity | Heat Sensitive |
|---|---|
| Melt Point(°C) | 142 °C |
| Molecular Weight | 341.240 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 340.079 Da |
| Monoisotopic Mass | 340.079 Da |
| Topological Polar Surface Area | 32.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| 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 |
