| CAS Number | 944483-39-0 |
| Catalog Number | AG00II6H(AGN-PC-07Y65P) |
| Chemical Name | [3-(diethylaminomethyl)phenyl]boronic acid |
| IUPAC Name | [3-(diethylaminomethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H18BNO2/c1-3-13(4-2)9-10-6-5-7-11(8-10)12(14)15/h5-8,14-15H,3-4,9H2,1-2H3 |
| InChI Key | LVIMXKVETPNUMR-UHFFFAOYSA-N |
| MDL Number | MFCD14687157 |
| Molecular Formula | C11H18BNO2 |
| Molecular Weight | 207.0771 |
| SMILES | CCN(CC1=CC(B(O)O)=CC=C1)CC |
| Synonyms | 944483-39-0,
(3-((diethylamino)methyl)phenyl)boronic acid,
3-[(Diethylamino)methyl]phenylboronic Acid,
{3-[(diethylamino)methyl]phenyl}boronic acid,
5752AJ,
MFCD14687157,
AKOS010796038,
ZINC169907131,
AM87472,
AS-55376,
SY019884,
[3-(diethylaminomethyl)phenyl]boronic acid,
TC-307304,
MFCD14687157 (95%),
C11H18BNO2,
152305-23-2,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.08g/mol |
| Monoisotopic Mass | 207.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number