| CAS Number | 2096332-60-2 |
| Catalog Number | AG01EHFK |
| Chemical Name | 4-(N-Cbz-N-Propylamino)phenylboronic acid, pinacol ester |
| IUPAC Name | benzyl N-propyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C23H30BNO4/c1-6-16-25(21(26)27-17-18-10-8-7-9-11-18)20-14-12-19(13-15-20)24-28-22(2,3)23(4,5)29-24/h7-15H,6,16-17H2,1-5H3 |
| InChI Key | WCPWANRWANWZPC-UHFFFAOYSA-N |
| MDL Number | MFCD21609688 |
| Molecular Formula | C23H30BNO4 |
| Molecular Weight | 395.2996 |
| SMILES | C(CC)N(C(OCC1=CC=CC=C1)=O)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096332-60-2,
4-(N-Cbz-N-Propylamino)phenylboronic acid, pinacol ester,
Benzyl propyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate,
MFCD21609688,
ZINC169965064,
B-9218,
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| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.306g/mol |
| Monoisotopic Mass | 395.227g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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