3-(N,N-Dimethylamino)phenylboronic Acid - CAS 178752-79-9
Catalog: |
BB013503 |
Product Name: |
3-(N,N-Dimethylamino)phenylboronic Acid |
CAS: |
178752-79-9 |
Synonyms: |
[3-(dimethylamino)phenyl]boronic acid; [3-(dimethylamino)phenyl]boronic acid |
IUPAC Name: | [3-(dimethylamino)phenyl]boronic acid |
Description: | Reactant involved in synthesis of different protein effector including: Modulators of survival motor neuron protein; Glucokinase activators; Aryl ethers for use as Bacillus anthracis enoyl-ACP reductase inhibitors.Reactant involved in synthesis of: Thiourea-functionalized paracyclophanes; Low-background fluorescent imaging agents for nitric oxideReactant to undergo regioselective iodination and bromination. |
Molecular Weight: | 165.00 |
Molecular Formula: | C8H12NO2B |
Canonical SMILES: | B(C1=CC(=CC=C1)N(C)C)(O)O |
InChI: | InChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3 |
InChI Key: | YZQQHZXHCXAJAV-UHFFFAOYSA-N |
Boiling Point: | 344 °C at 760 mmHg |
Melting Point: | 178-190 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.12 g/cm3 |
Appearance: | Solid |
LogP: | -0.56760 |
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 |
CN-113004194-A | Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof | 20210309 |
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PMID | Publication Date | Title | Journal |
20627667 | 20100901 | Direct spectroscopic observation of binding of sugars to polymers having phenylboronic acids substituted with an ortho-phenylazo group | Colloids and surfaces. B, Biointerfaces |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0961088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0961088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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