| CAS Number | 1191062-03-9 |
| Catalog Number | AG0094A3 |
| Chemical Name | 4-[2-(N-Boc-N-Methyl)aminoethyl]phenylboronic acid |
| IUPAC Name | [4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H22BNO4/c1-14(2,3)20-13(17)16(4)10-9-11-5-7-12(8-6-11)15(18)19/h5-8,18-19H,9-10H2,1-4H3 |
| InChI Key | SHIGSPOXCDMZRV-UHFFFAOYSA-N |
| MDL Number | MFCD27578158 |
| Molecular Formula | C14H22BNO4 |
| Molecular Weight | 279.1398 |
| SMILES | OB(C1=CC=C(CCN(C(OC(C)(C)C)=O)C)C=C1)O |
| Synonyms | 4-[2-(N-BOC-N-Methyl)aminoethyl]phenylboronic acid,
1191062-03-9,
SCHEMBL12420011,
ZINC170002617,
Z8073,
C14H22BNO4,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.143g/mol |
| Monoisotopic Mass | 279.164g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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