| CAS Number | 1486485-46-4 |
| Catalog Number | AG019YUC |
| Chemical Name | 2-methyl-1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine |
| IUPAC Name | 2-methyl-1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine |
| InChI | InChI=1S/C18H28BNO2/c1-14-8-7-11-20(14)13-15-9-6-10-16(12-15)19-21-17(2,3)18(4,5)22-19/h6,9-10,12,14H,7-8,11,13H2,1-5H3 |
| InChI Key | YVGVXWIAMMZCBI-UHFFFAOYSA-N |
| MDL Number | MFCD18775787 |
| Molecular Formula | C18H28BNO2 |
| Molecular Weight | 301.2314 |
| SMILES | CC1N(CC2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2)CCC1 |
| Synonyms | 2-methyl-1-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine,
1486485-46-4,
NE30294,
2-methyl-1-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.221309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.2g/mol |
| Monoisotopic Mass | 301.221309g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.7Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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