≥97% 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.
| Sonrisas canónicas | CC1=NN(C=C1NCC2=CC(=C(C=C2)OCC(F)(F)F)OC)C |
|---|---|
| IUPAC Name | N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-dimethylpyrazol-4-amine |
| InChIKey | BUSISMQOGYHEGD-UHFFFAOYSA-N |
| INCHI | 1S/C15H18F3N3O2/c1-10-12(8-21(2)20-10)19-7-11-4-5-13(14(6-11)22-3)23-9-15(16,17)18/h4-6,8,19H,7,9H2,1-3H3 |
| Isómeros SMILES | CC1=NN(C=C1NCC2=CC(=C(C=C2)OCC(F)(F)F)OC)C |
| PubChem CID | 19614704 |
| Peso molecular | 329.32 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Pyrazole - Heteroaromatic compound - Azole - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Peso molecular | 329.320 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 329.135 Da |
| Monoisotopic Mass | 329.135 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 370.000 |
| 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 |
