| CAS Number | 1312938-19-4 |
| Catalog Number | AG01FNWE(AGN-PC-3H5NJC) |
| Chemical Name | (3-((dibutylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [3-[(dibutylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C15H26BNO2/c1-3-5-10-17(11-6-4-2)13-14-8-7-9-15(12-14)16(18)19/h7-9,12,18-19H,3-6,10-11,13H2,1-2H3 |
| InChI Key | YGJHHPMAIOOJOM-UHFFFAOYSA-N |
| MDL Number | MFCD16413688 |
| Molecular Formula | C15H26BNO2 |
| Molecular Weight | 263.1834 |
| SMILES | OB(O)C1=CC(CN(CCCC)CCCC)=CC=C1 |
| Synonyms | AKOS010796352,
AS-66113,
{3-[(dibutylamino)methyl]phenyl}boronic acid,
1312938-19-4,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.205659g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.19g/mol |
| Monoisotopic Mass | 263.205659g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 43.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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