| CAS Number | 865314-28-9 |
| Catalog Number | AG019ENW(AGN-PC-0V6ALW) |
| Chemical Name | (3-((4-(tert-Butoxycarbonyl)piperazin-1-yl)methyl)phenyl)boronic acid |
| IUPAC Name | [3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid |
| InChI | InChI=1S/C16H25BN2O4/c1-16(2,3)23-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(11-13)17(21)22/h4-6,11,21-22H,7-10,12H2,1-3H3 |
| InChI Key | MFEOKQZFYJRCEP-UHFFFAOYSA-N |
| MDL Number | MFCD22419048 |
| Molecular Formula | C16H25BN2O4 |
| Molecular Weight | 320.1917 |
| SMILES | C(c1cc(B(O)O)ccc1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 865314-28-9,
(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)phenyl)boronic acid,
Penn Chem-GAM_020,
PSP020,
SCHEMBL1362989,
MFEOKQZFYJRCEP-UHFFFAOYSA-N,
MFCD22419048,
AKOS025286181,
ZINC197861895,
AM87269,
AS-55400,
CS-0060954,
FT-0756890,
(3-((4-(t-Butoxycarbonyl)piperazin-1-yl)methyl)phenyl)boronic acid,
[3-({4-[(tert-butoxy)carbonyl]piperazin-1-yl}methyl)phenyl]boronic acid,
{3-[(4-{[(1,1-dimethylethyl)-oxy]carbonyl}-1-piperazinyl)methyl]phenyl}boronic acid,
{3-[(4-{[(1,1-dimethylethyl)oxy]carbonyl}-1-piperazinyl)methyl]phenyl}boronic acid,
3-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)phenylboronic acid,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.196g/mol |
| Monoisotopic Mass | 320.191g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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