| CAS Number | 2057448-57-2 |
| Catalog Number | AG01FNMT(AGN-PC-3H4BFN) |
| Chemical Name | N,N-diethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N,N-diethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C18H28BNO4/c1-7-20(8-2)16(21)13-22-15-11-9-10-14(12-15)19-23-17(3,4)18(5,6)24-19/h9-12H,7-8,13H2,1-6H3 |
| InChI Key | KNJPYEVOOOVWKP-UHFFFAOYSA-N |
| MDL Number | MFCD31916115 |
| Molecular Formula | C18H28BNO4 |
| Molecular Weight | 333.2302 |
| SMILES | O=C(N(CC)CC)COC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 2057448-57-2,
N,N-diethyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide,
N,N-diethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
AS-73620,
A1-18719,
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| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.211139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.2g/mol |
| Monoisotopic Mass | 333.211139g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 48Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number