3-(4-Methyl-1-piperazinyl)phenylboronic Acid - CAS 1139717-76-2
Catalog: |
BB003285 |
Product Name: |
3-(4-Methyl-1-piperazinyl)phenylboronic Acid |
CAS: |
1139717-76-2 |
Synonyms: |
[3-(4-methyl-1-piperazinyl)phenyl]boronic acid; [3-(4-methylpiperazin-1-yl)phenyl]boronic acid |
IUPAC Name: | [3-(4-methylpiperazin-1-yl)phenyl]boronic acid |
Description: | 3-(4-Methyl-1-piperazinyl)phenylboronic Acid (CAS# 1139717-76-2) is a useful research chemical. |
Molecular Weight: | 220.08 |
Molecular Formula: | C11H17N2O2B |
Canonical SMILES: | B(C1=CC(=CC=C1)N2CCN(CC2)C)(O)O |
InChI: | InChI=1S/C11H17BN2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9,15-16H,5-8H2,1H3 |
InChI Key: | HXGDRMHRVSAMGD-UHFFFAOYSA-N |
Density: | 1.2 g/cm3 |
LogP: | -0.87890 |
Publication Number | Title | Priority Date |
US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
WO-2020132197-A1 | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 20181220 |
TW-202039502-A | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
EP-3898627-A1 | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 20181220 |
KR-20210116488-A | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 20181220 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.138308 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.138308 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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