≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Canonical Smiles | CN1CCN(CC1)C2=CC=C(C=C2)CN.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | [4-(4-methylpiperazin-1-yl)phenyl]methanamine;2,2,2-trifluoroacetic acid |
| InChIKey | BJNZRTVDMUTNIY-UHFFFAOYSA-N |
| INCHI | 1S/C12H19N3.C2HF3O2/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12;3-2(4,5)1(6)7/h2-5H,6-10,13H2,1H3;(H,6,7) |
| Isomeric SMILES | CN1CCN(CC1)C2=CC=C(C=C2)CN.C(=O)(C(F)(F)F)O |
| PubChem CID | 86280427 |
| Molecular Weight | 319.32 |
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 Phenylmethylamines Aniline and substituted anilines Benzylamines Dialkylarylamines N-methylpiperazines Aralkylamines Alpha-halocarboxylic acids Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Monoalkylamines Organofluorides Alkyl fluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Phenylpiperazine - N-arylpiperazine - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - Primary amine - Hydrocarbon derivative - 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 | 319.320 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 319.151 Da |
| Monoisotopic Mass | 319.151 Da |
| Topological Polar Surface Area | 69.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 | 2 |
