| CAS Number | 1704120-84-2 |
| Catalog Number | AG00ARKD(AGN-PC-0WCTOT) |
| Chemical Name | 2-(4-Methylpiperidin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide |
| IUPAC Name | 2-(4-methylpiperidin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C20H31BN2O3/c1-15-10-12-23(13-11-15)14-18(24)22-17-8-6-16(7-9-17)21-25-19(2,3)20(4,5)26-21/h6-9,15H,10-14H2,1-5H3,(H,22,24) |
| InChI Key | DFZHWDWJFAUUIZ-UHFFFAOYSA-N |
| MDL Number | MFCD28805652 |
| Molecular Formula | C20H31BN2O3 |
| Molecular Weight | 358.2827 |
| SMILES | CC1CCN(CC1)CC(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2-(4-methylpiperidin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide,
1704120-84-2,
2-(4-METHYLPIPERIDIN-1-YL)-N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETAMIDE,
MFCD28805652,
ZINC230553359,
AM87911,
AS-55339,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.289g/mol |
| Monoisotopic Mass | 358.243g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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