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3-(3-Trifluoromethyl-benzyl)-piperidine , CAS No.625454-25-3
Disponible para pedir
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | C1CC(CNC1)CC2=CC(=CC=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 3-[[3-(trifluoromethyl)phenyl]methyl]piperidine |
| InChIKey | NBJMMSXTOSDULN-UHFFFAOYSA-N |
| INCHI | 1S/C13H16F3N/c14-13(15,16)12-5-1-3-10(8-12)7-11-4-2-6-17-9-11/h1,3,5,8,11,17H,2,4,6-7,9H2 |
| Isómeros SMILES | C1CC(CNC1)CC2=CC(=CC=C2)C(F)(F)F |
| PubChem CID | 11150178 |
| Peso molecular | 243.27 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Piperidines
- Subclass Benzylpiperidines
- Clase Piperidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-benzylpiperidines |
| Alternative Parents | Trifluoromethylbenzenes Aralkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-benzylpiperidine - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary amine - Secondary aliphatic amine - Azacycle - Alkyl halide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 3-position of a piperidine. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 243.270 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 243.123 Da |
| Monoisotopic Mass | 243.123 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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