| CAS Number | 1332503-87-3 |
| Catalog Number | AG01FNSB(AGN-PC-3H4BI4) |
| Chemical Name | (3-((Dipropylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [3-[(dipropylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H22BNO2/c1-3-8-15(9-4-2)11-12-6-5-7-13(10-12)14(16)17/h5-7,10,16-17H,3-4,8-9,11H2,1-2H3 |
| InChI Key | HBQCNFNLVAJCDV-UHFFFAOYSA-N |
| MDL Number | MFCD16198105 |
| Molecular Formula | C13H22BNO2 |
| Molecular Weight | 235.1303 |
| SMILES | C(CC)N(CCC)CC=1C=C(C=CC1)B(O)O |
| Synonyms | AKOS005974524,
AS-66516,
{3-[(dipropylamino)methyl]phenyl}boronic acid,
1332503-87-3,
|
| Complexity | 196 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.13g/mol |
| Monoisotopic Mass | 235.174359g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 43.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number