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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)CNC3CCCC3 |
|---|---|
| IUPAC Name | N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine |
| InChIKey | HYTRIBUOMWRGCY-UHFFFAOYSA-N |
| INCHI | 1S/C18H27BFNO2/c1-17(2)18(3,4)23-19(22-17)16-11-14(20)10-9-13(16)12-21-15-7-5-6-8-15/h9-11,15,21H,5-8,12H2,1-4H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)CNC3CCCC3 |
| PubChem CID | 53217291 |
| Peso molecular | 319.2 |
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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 | Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkylamines Organopnictogen compounds Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Oxacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic metalloid moeity - Amine - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - 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 | 319.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.212 Da |
| Monoisotopic Mass | 319.212 Da |
| Topological Polar Surface Area | 30.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |