Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| Pubchem Sid | 504762168 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762168 |
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| IUPAC Name | 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid |
| InChIKey | BEDWYXZFIYMEJG-UHFFFAOYSA-N |
| INCHI | 1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
| PubChem CID | 2795508 |
| Molecular Weight | 306.36 |
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 Aminobenzoic acids Piperazine carboxylic acids Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Carbamate esters Amino acids Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Piperazine-1-carboxylic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen 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 |
|---|---|---|---|
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 | |
| Certificate of Analysis | Dec 09, 2023 | T587509 |
| Molecular Weight | 306.360 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.158 Da |
| Monoisotopic Mass | 306.158 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 403.000 |
| 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 |