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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=CC(=NN1CCN)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamine |
| InChIKey | SHUCOXQGYVIPDK-UHFFFAOYSA-N |
| INCHI | 1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3 |
| Isomeric SMILES | CC1=CC(=NN1CCN)C(F)(F)F |
| PubChem CID | 16640649 |
| Molecular Weight | 193.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Primary amines |
| Direct Parent | 2-arylethylamines |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-arylethylamine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group. |
| External Descriptors | Not available |
| Molecular Weight | 193.170 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 193.083 Da |
| Monoisotopic Mass | 193.083 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |