≥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 | C1CN(CCN1CCO)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol |
| InChIKey | CSQYNPKWTDSSNB-UHFFFAOYSA-N |
| INCHI | 1S/C13H16F3N3O3/c14-13(15,16)10-1-2-11(12(9-10)19(21)22)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8H2 |
| Isomeric SMILES | C1CN(CCN1CCO)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| PubChem CID | 2775795 |
| Molecular Weight | 319.28 |
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 Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds N-alkylpiperazines 1,2-aminoalcohols Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Alkanolamine - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Primary alcohol - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic zwitterion - Alcohol - Alkyl halide - Alkyl fluoride - 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 | 319.280 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.114 Da |
| Monoisotopic Mass | 319.114 Da |
| Topological Polar Surface Area | 72.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 381.000 |
| 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 |
![2-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol - ≥95% , CAS No.330633-81-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)