| CAS Number | 871720-08-0 |
| Catalog Number | AG00IEEK(AGN-PC-0VBAUN) |
| Chemical Name | (1R)-4-(1-BOC-Aminoethyl)phenylboronic acid |
| IUPAC Name | [4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO4/c1-9(15-12(16)19-13(2,3)4)10-5-7-11(8-6-10)14(17)18/h5-9,17-18H,1-4H3,(H,15,16)/t9-/m1/s1 |
| InChI Key | MSAGOVOMQIQREX-SECBINFHSA-N |
| MDL Number | MFCD30834340 |
| Molecular Formula | C13H20BNO4 |
| Molecular Weight | 265.1132 |
| SMILES | OB(C1=CC=C([C@H](NC(OC(C)(C)C)=O)C)C=C1)O |
| Synonyms | (1R)-4-(1-BOC-Aminoethyl)phenylboronic acid,
871720-08-0,
SCHEMBL2722696,
MSAGOVOMQIQREX-SECBINFHSA-N,
(R)-4-(1-tert-Butoxycarbonylamino-ethyl)phenylboronic acid,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.116g/mol |
| Monoisotopic Mass | 265.149g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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