| CAS Number | 1003028-39-4 |
| Catalog Number | AG01ABHI |
| Chemical Name | (4-(3-(Piperidin-1-yl)propoxy)phenyl)boronic acid |
| IUPAC Name | [4-(3-piperidin-1-ylpropoxy)phenyl]boronic acid |
| InChI | InChI=1S/C14H22BNO3/c17-15(18)13-5-7-14(8-6-13)19-12-4-11-16-9-2-1-3-10-16/h5-8,17-18H,1-4,9-12H2 |
| InChI Key | WXZPCHIROFGLEC-UHFFFAOYSA-N |
| MDL Number | MFCD17977156 |
| Molecular Formula | C14H22BNO3 |
| Molecular Weight | 263.1404 |
| SMILES | OB(C1=CC=C(OCCCN2CCCCC2)C=C1)O |
| Synonyms | {4-[3-(piperidin-1-yl)propoxy]phenyl}boronic acid,
1003028-39-4,
{4-[3-(piperidin-1-yl)propoxy]phenyl}boranediol,
AC1Q715U,
ZINC169948602,
NE21041,
EN300-71643,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.144g/mol |
| Monoisotopic Mass | 263.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number