| CAS Number | 879486-90-5 |
| Catalog Number | AG01DTQU(AGN-PC-0VHTY3) |
| Chemical Name | 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxamide |
| IUPAC Name | 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxamide |
| InChI | InChI=1S/C18H28BN3O3/c1-17(2)18(3,4)25-19(24-17)14-6-8-15(9-7-14)20-16(23)22-12-10-21(5)11-13-22/h6-9H,10-13H2,1-5H3,(H,20,23) |
| InChI Key | BWCYAHJZJMLVOS-UHFFFAOYSA-N |
| MDL Number | MFCD31716302 |
| Molecular Formula | C18H28BN3O3 |
| Molecular Weight | 345.2442 |
| SMILES | CN1CCN(CC1)C(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 879486-90-5,
SCHEMBL5232443,
AS-55428,
1-Piperazinecarboxamide,4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxamide,
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| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.25g/mol |
| Monoisotopic Mass | 345.222g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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