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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.
| Sonrisas canónicas | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCSCC3 |
|---|---|
| IUPAC Name | 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]thiomorpholine |
| InChIKey | AZSGZVFIGRBNQM-UHFFFAOYSA-N |
| INCHI | 1S/C17H26BNO2S/c1-16(2)17(3,4)21-18(20-16)15-7-5-14(6-8-15)13-19-9-11-22-12-10-19/h5-8H,9-13H2,1-4H3 |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCSCC3 |
| PubChem CID | 68573289 |
| Peso molecular | 319.28 |
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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 Aralkylamines Thiomorpholines Dioxaborolanes Boronic acid esters Trialkylamines Oxacyclic compounds Organic metalloid salts Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoboron compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylmethylamine - Benzylamine - Aralkylamine - 1,4-thiazinane - 1,3,2-dioxaborolane - Boronic acid ester - Tertiary aliphatic amine - Tertiary amine - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoboron compound - Amine - 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 | 319.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.178 Da |
| Monoisotopic Mass | 319.178 Da |
| Topological Polar Surface Area | 47.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| 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 |