| CAS Number | 2246419-29-2 |
| Catalog Number | AG01FRIP(AGN-PC-3H5PNE) |
| Chemical Name | 2-methyl-1-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)piperidine |
| IUPAC Name | 2-methyl-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine |
| InChI | InChI=1S/C20H32BNO3/c1-16-8-6-7-13-22(16)14-15-23-18-11-9-17(10-12-18)21-24-19(2,3)20(4,5)25-21/h9-12,16H,6-8,13-15H2,1-5H3 |
| InChI Key | QNJFPGPSCWAIRH-UHFFFAOYSA-N |
| MDL Number | MFCD32206515 |
| Molecular Formula | C20H32BNO3 |
| Molecular Weight | 345.2840 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(OCCN3C(C)CCCC3)C=C2)O1 |
| Synonyms | AS-74137,
2-methyl-1-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine,
2246419-29-2,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.247524g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.3g/mol |
| Monoisotopic Mass | 345.247524g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.9Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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