4-Aminophenylboronic acid - CAS 89415-43-0
Catalog: |
BB039475 |
Product Name: |
4-Aminophenylboronic acid |
CAS: |
89415-43-0 |
Synonyms: |
B-(4-Aminophenyl)boronic Acid; (4-Anilino)boronic Acid; 4-Aminobenzeneboronic Acid; p-Aminophenylboronic Acid; BORONIC ACID, (4-AMINOPHENYL)-; 4-Aminobenzeneboronic acid hydrochloride; 4-Boronoaniline |
IUPAC Name: | (4-aminophenyl)boronic acid |
Description: | 4-Aminophenylboronic Acid is a compound being used in the discovery of multi-target receptor tyrosine kinase inhibitors as novel anti-angiogenesis agents. |
Molecular Weight: | 136.94 |
Molecular Formula: | C6H8BNO2 |
Canonical SMILES: | B(C1=CC=C(C=C1)N)(O)O |
InChI: | InChI=1S/C6H8BNO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,8H2 |
InChI Key: | MKPDAJWEBQRQCO-UHFFFAOYSA-N |
Boiling Point: | 355.0 °C at 760 mmHg |
Melting Point: | 62-66 °C |
Purity: | > 98 % (HPLC) |
Density: | 1.230 g/cm3 (Predicted) |
Appearance: | White to beige crystalline powder |
Storage: | 2-8 °C |
LogP: | -0.47020 |
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 |
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PMID | Publication Date | Title | Journal |
21936546 | 20111104 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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