4-Aminomethylphenylboronic acid hydrochloride - CAS 75705-21-4
Catalog: |
BB035382 |
Product Name: |
4-Aminomethylphenylboronic acid hydrochloride |
CAS: |
75705-21-4 |
Synonyms: |
4-AMINOMETHYLPHENYLBORONIC ACID HYDROCHLORIDE; 4-(aminomethyl)phenylboronic acid hydrochloride; 4-aminomethylphenylboronic acid, HCl; Boronic acid, [4-(aminomethyl)phenyl]-, hydrochloride; ZX-AT004677; ANW-36661; MFCD01632199; 4-aminomethylphenylboronic acid HCl |
Related CAS: | 51239-46-4 (free base)
|
IUPAC Name: | [4-(aminomethyl)phenyl]boronic acid;hydrochloride |
Description: | 4-Aminomethylphenylboronic acid hydrochloride (CAS# 75705-21-4) is the salt form of A292475. |
Molecular Weight: | 187.43 |
Molecular Formula: | C7H11BClNO2 |
Canonical SMILES: | B(C1=CC=C(C=C1)CN)(O)O.Cl |
InChI: | InChI=1S/C7H10BNO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4,10-11H,5,9H2;1H |
InChI Key: | HUZNRXFJHYNUMV-UHFFFAOYSA-N |
Boiling Point: | 337.7 °C at 760 mmHg |
Melting Point: | 240-250 °C |
Flash Point: | Not applicable |
Purity: | 98 % (HPLC) |
Density: | 1.180 g/cm3 |
Appearance: | Pale yellow powder |
Storage: | 2-8 °C |
MDL: | MFCD01632199 |
LogP: | 0.32740 |
GHS Hazard Statement: | H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 20210106 |
CN-112707924-A | Synthetic method of 4-aminomethyl phenylboronic acid hydrochloride | 20201226 |
WO-2021072156-A1 | Oral complement factor d inhibitors | 20191009 |
WO-2021072198-A1 | Oral complement factor d inhibitors | 20191009 |
US-2021002229-A1 | Compounds for treatment of pd-l1 diseases | 20190620 |
PMID | Publication Date | Title | Journal |
16876411 | 20061001 | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa | Bioorganic & medicinal chemistry letters |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0571365 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0571365 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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