| CAS Number | 1333121-80-4 |
| Catalog Number | AG01FNNM(AGN-PC-3H4BGE) |
| Chemical Name | (4-((dipropylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [4-[(dipropylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H22BNO2/c1-3-9-15(10-4-2)11-12-5-7-13(8-6-12)14(16)17/h5-8,16-17H,3-4,9-11H2,1-2H3 |
| InChI Key | WHFARMVZSVYSHL-UHFFFAOYSA-N |
| MDL Number | MFCD16198109 |
| Molecular Formula | C13H22BNO2 |
| Molecular Weight | 235.1303 |
| SMILES | C(CC)N(CCC)CC1=CC=C(C=C1)B(O)O |
| Synonyms | AKOS005974574,
AS-66514,
{4-[(dipropylamino)methyl]phenyl}boronic acid,
1333121-80-4,
|
| Complexity | 188 |
| 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