3-Aminophenylboronic Acid Monohydrate - CAS 206658-89-1
Catalog: |
BB016145 |
Product Name: |
3-Aminophenylboronic Acid Monohydrate |
CAS: |
206658-89-1 |
Synonyms: |
(3-aminophenyl)boronic acid;hydrate; (3-aminophenyl)boronic acid;hydrate |
IUPAC Name: | (3-aminophenyl)boronic acid;hydrate |
Description: | Reagent used for: Suzuki-Miyaura cross-coupling. Reagent used for Preparation of; Gram-positive antivirulence drugs and inhibitors of Streptococcus agalactiae Stk1; Regioisomer of Zaleplon (a sedative); Amphiphilic random glycopolymer, which self-assemble to form nanoparticles, with potential as a glucose-sensitive matrix ; Chemomechanical polymer that expands and contracts in blood plasma with high glucose selectivity. |
Molecular Weight: | 154.96 |
Molecular Formula: | C6H10NO3B |
Canonical SMILES: | B(C1=CC(=CC=C1)N)(O)O.O |
InChI: | InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2 |
InChI Key: | XAEOVQODHLLNKX-UHFFFAOYSA-N |
Boiling Point: | 376 °C at 760 mmHg |
Melting Point: | 93-96 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.23 g/cm3 |
MDL: | MFCD00149554 |
LogP: | -0.53450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021166900-A1 | Organic electroluminescent element, organic el display device, and organic el lighting | 20200220 |
WO-2021145429-A1 | Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device | 20200115 |
WO-2021123229-A1 | Synthesis of lactone derivatives and their use in the modification of proteins | 20191220 |
WO-2021126989-A1 | Two-way magnetic resonance tuning nanoprobe enhanced subtraction imaging | 20191217 |
WO-2021125011-A1 | Polymer, composition for organic electroluminescent element, composition for forming hole transport layer or hole injection layer, organic electroluminescent element, organic el display device, and organic el illuminator | 20191216 |
PMID | Publication Date | Title | Journal |
21579363 | 20100508 | 3-Amino-phenyl-boronic acid monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0753733 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0753733 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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