| CAS Number | 1334401-41-0 |
| Catalog Number | AG01FNSX(AGN-PC-3H4BID) |
| Chemical Name | (2-((Dipropylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-[(dipropylamino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H22BNO2/c1-3-9-15(10-4-2)11-12-7-5-6-8-13(12)14(16)17/h5-8,16-17H,3-4,9-11H2,1-2H3 |
| InChI Key | FJKQZZXYQCCGSK-UHFFFAOYSA-N |
| MDL Number | MFCD16198108 |
| Molecular Formula | C13H22BNO2 |
| Molecular Weight | 235.1303 |
| SMILES | OB(O)C1=C(CN(CCC)CCC)C=CC=C1 |
| Synonyms | AKOS005974573,
AS-66517,
{2-[(dipropylamino)methyl]phenyl}boronic acid,
1334401-41-0,
|
| 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