| CAS Number | 1704069-65-7 |
| Catalog Number | AG00ARCB(AGN-PC-0WCS6R) |
| Chemical Name | {4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl}boronic acid |
| IUPAC Name | [4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H21BN2O2/c1-11(16-9-7-15(2)8-10-16)12-3-5-13(6-4-12)14(17)18/h3-6,11,17-18H,7-10H2,1-2H3 |
| InChI Key | GKJJUVULSZUPLG-UHFFFAOYSA-N |
| MDL Number | MFCD28400320 |
| Molecular Formula | C13H21BN2O2 |
| Molecular Weight | 248.1290 |
| SMILES | CN1CCN(CC1)C(C)C1=CC=C(C=C1)B(O)O |
| Synonyms | (4-(1-(4-methylpiperazin-1-yl)ethyl)phenyl)boronic acid,
1704069-65-7,
{4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl}boronic acid,
MFCD28400320,
AM88223,
AS-55330,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.133g/mol |
| Monoisotopic Mass | 248.17g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number