| CAS Number | 2096334-51-7 |
| Catalog Number | AG01EHBL |
| Chemical Name | 2-(N-Butylaminomethyl)-3-chlorophenylboronic acid, pinacol ester |
| IUPAC Name | N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]butan-1-amine |
| InChI | InChI=1S/C17H27BClNO2/c1-6-7-11-20-12-13-14(9-8-10-15(13)19)18-21-16(2,3)17(4,5)22-18/h8-10,20H,6-7,11-12H2,1-5H3 |
| InChI Key | JYAHFATXUFOJBL-UHFFFAOYSA-N |
| MDL Number | MFCD20441920 |
| Molecular Formula | C17H27BClNO2 |
| Molecular Weight | 323.6658 |
| SMILES | ClC1=C(CNCCCC)C(B2OC(C)(C)C(C)(C)O2)=CC=C1 |
| Synonyms | 2-(N-Butylaminomethyl)-3-chlorophenylboronic acid, pinacol ester,
2096334-51-7,
N-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)butan-1-amine,
MFCD20441920,
AKOS027364728,
ZINC169956027,
B-9724,
N/A,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.668g/mol |
| Monoisotopic Mass | 323.182g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number