2-Aminophenylboronic Acid Hydrochloride - CAS 863753-30-4
Catalog: |
BB037905 |
Product Name: |
2-Aminophenylboronic Acid Hydrochloride |
CAS: |
863753-30-4 |
Synonyms: |
(2-aminophenyl)boronic acid;hydrochloride; (2-aminophenyl)boronic acid;hydrochloride |
IUPAC Name: | (2-aminophenyl)boronic acid;hydrochloride |
Description: | Reactant for: Preparation of small molecules with a trihydroxybenzene motif as pan-selectin antagonists and potential antiinflammatory agents; Preparation of designed boronate ligands for glucose-selective holographic sensors. |
Molecular Weight: | 173.41 |
Molecular Formula: | C6H9ClNO2B |
Canonical SMILES: | B(C1=CC=CC=C1N)(O)O.Cl |
InChI: | InChI=1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H |
InChI Key: | WPDASZCYRKGSTO-UHFFFAOYSA-N |
Boiling Point: | 346.9 °C at 760 mmHg |
Melting Point: | 145-156 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Appearance: | Solid |
MDL: | MFCD02258096 |
LogP: | 0.33180 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112042680-A | Environment-friendly preservative and preparation method thereof | 20200914 |
CN-111471036-A | Diamine monomer and preparation method thereof, polyimide and preparation method and application thereof | 20200519 |
CN-111471036-B | Diamine monomer and preparation method thereof, polyimide and preparation method and application thereof | 20200519 |
WO-2021072198-A1 | Oral complement factor d inhibitors | 20191009 |
CN-110452258-B | Preparation method of dipeptide valine boron proline salt | 20190903 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0414864 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0414864 |
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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