≥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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)C=O |
|---|---|
| IUPAC Name | tert-butyl 4-[2-formyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate |
| InChIKey | SHMBSPFQSGKEQE-UHFFFAOYSA-N |
| INCHI | 1S/C17H21F3N2O3/c1-16(2,3)25-15(24)22-8-6-21(7-9-22)14-5-4-13(17(18,19)20)10-12(14)11-23/h4-5,10-11H,6-9H2,1-3H3 |
| Molecular Weight | 358.350 |
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 |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Trifluoromethylbenzenes Piperazine carboxylic acids Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Vinylogous amides Carbamate esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Piperazine-1-carboxylic acid - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Vinylogous amide - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Aldehyde - Alkyl halide - Amine - Organic oxide - 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 |
| Molecular Weight | 358.350 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 358.15 Da |
| Monoisotopic Mass | 358.15 Da |
| Topological Polar Surface Area | 49.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 483.000 |
| 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 |
