| CAS Number | 874299-00-0 |
| Catalog Number | AG00IEKL(AGN-PC-0WQWV9) |
| Chemical Name | N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide |
| IUPAC Name | N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide |
| InChI | InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)13-8-7-9-14(12-13)19-15(21)20-10-5-6-11-20/h7-9,12H,5-6,10-11H2,1-4H3,(H,19,21) |
| InChI Key | LIBQKFGWCHHULK-UHFFFAOYSA-N |
| MDL Number | MFCD22573176 |
| Molecular Formula | C17H25BN2O3 |
| Molecular Weight | 316.2030 |
| SMILES | O=C(N1CCCC1)NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | 874299-00-0,
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxamide,
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide,
AS-55369,
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| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.208g/mol |
| Monoisotopic Mass | 316.196g/mol |
| Rotatable Bond Count | 2 |
| 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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