| CAS Number | 1025900-35-9 |
| Catalog Number | AG0095HU(AGN-PC-0WCRK3) |
| Chemical Name | (4-((Diisopropylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [4-[[di(propan-2-yl)amino]methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H22BNO2/c1-10(2)15(11(3)4)9-12-5-7-13(8-6-12)14(16)17/h5-8,10-11,16-17H,9H2,1-4H3 |
| InChI Key | MWEBNHUKQKORGU-UHFFFAOYSA-N |
| MDL Number | MFCD28384212 |
| Molecular Formula | C13H22BNO2 |
| Molecular Weight | 235.1303 |
| SMILES | OB(c1ccc(cc1)CN(C(C)C)C(C)C)O |
| Synonyms | (4-((diisopropylamino)methyl)phenyl)boronic acid,
1025900-35-9,
MFCD28384212,
ZINC200258451,
AM86223,
AS-55693,
4-(Diisopropylaminomethyl)phenylboronic acid,
CS-0061037,
(4-{[bis(propan-2-yl)amino]methyl}phenyl)boronic acid,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.134g/mol |
| Monoisotopic Mass | 235.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number