4-(4-Methyl-1-piperazinyl)phenylboronic Acid - CAS 229009-40-9
Catalog: |
BB017801 |
Product Name: |
4-(4-Methyl-1-piperazinyl)phenylboronic Acid |
CAS: |
229009-40-9 |
Synonyms: |
[4-(4-methyl-1-piperazinyl)phenyl]boronic acid; [4-(4-methylpiperazin-1-yl)phenyl]boronic acid |
IUPAC Name: | [4-(4-methylpiperazin-1-yl)phenyl]boronic acid |
Description: | 4-(4-Methyl-1-piperazinyl)phenylboronic Acid (CAS# 229009-40-9) is a useful synthetic compound. |
Molecular Weight: | 220.08 |
Molecular Formula: | C11H17N2O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)N2CCN(CC2)C)(O)O |
InChI: | InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3 |
InChI Key: | LSKYURVDOIDSCG-UHFFFAOYSA-N |
Boiling Point: | 406.2 ℃ at 760 mmHg |
Density: | 1.2 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11223486 |
LogP: | -0.87890 |
Publication Number | Title | Priority Date |
WO-2021210970-A1 | Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators | 20200417 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
EP-3868760-A1 | 2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer | 20200220 |
WO-2021165497-A1 | 2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer | 20200220 |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
Complexity: | 212 |
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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