4-[(Diethylamino)methyl]phenylboronic Acid - CAS 220999-48-4
Catalog: |
BB017372 |
Product Name: |
4-[(Diethylamino)methyl]phenylboronic Acid |
CAS: |
220999-48-4 |
Synonyms: |
[4-(diethylaminomethyl)phenyl]boronic acid; [4-(diethylaminomethyl)phenyl]boronic acid |
IUPAC Name: | [4-(diethylaminomethyl)phenyl]boronic acid |
Description: | 4-[(Diethylamino)methyl]phenylboronic Acid (CAS# 220999-48-4) is a useful research chemical. |
Molecular Weight: | 207.08 |
Molecular Formula: | C11H18NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CN(CC)CC)(O)O |
InChI: | InChI=1S/C11H18BNO2/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15/h5-8,14-15H,3-4,9H2,1-2H3 |
InChI Key: | WGXUKAGOUGPEOL-UHFFFAOYSA-N |
Boiling Point: | 327.8 °C at 760 mmHg |
Density: | 1.05 g/cm3 |
MDL: | MFCD04039019 |
LogP: | 0.20820 |
Publication Number | Title | Priority Date |
AU-2017336523-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
EP-3523294-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
JP-2020500207-A | Calpain modulators and their therapeutic use | 20160928 |
US-2020123114-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
WO-2018064119-A1 | Calpain modulators and therapeutic uses thereof | 20160928 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.143059 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.143059 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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