| CAS Number | 1809063-96-4 |
| Catalog Number | AG01FNW9(AGN-PC-3H5NJ9) |
| Chemical Name | (2-((hexylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-[(hexylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H22BNO2/c1-2-3-4-7-10-15-11-12-8-5-6-9-13(12)14(16)17/h5-6,8-9,15-17H,2-4,7,10-11H2,1H3 |
| InChI Key | UVOOEQCQCHUGPA-UHFFFAOYSA-N |
| MDL Number | MFCD32206257 |
| Molecular Formula | C13H22BNO2 |
| Molecular Weight | 235.1303 |
| SMILES | CCCCCCNCc1ccccc1B(O)O |
| Synonyms | AS-65317,
{2-[(hexylamino)methyl]phenyl}boronic acid,
1809063-96-4,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.174359g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.13g/mol |
| Monoisotopic Mass | 235.174359g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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