4-Aminomethylphenylboronic acid hydrochloride
Product Information
Molecular Formula
C7H11BClNO2
Molecular Weight
187.43
Description
4-Aminomethylphenylboronic acid hydrochloride is a versatile compound prominently used in biochemical research and synthesis. Known for its ability to form reversible covalent bonds with diols, it plays a crucial role in the development of sensors and drug delivery systems. This compound is particularly valued for its stability and reactivity under various conditions, making it a preferred choice in complex chemical reactions. Its unique structure allows for diverse applications, from molecular recognition to the synthesis of advanced materials.
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
IUPAC Name
[4-(aminomethyl)phenyl]boronic acid;hydrochloride
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
LogP
0.32740
Related CAS
51239-46-4 (free base)
Safety Information
Hazards
H302
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
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
187.0571365 g/mol
Monoisotopic Mass
187.0571365 g/mol
Topological Polar Surface Area
66.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
113
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 2021-01-06 |
| CN-112707924-A | Synthetic method of 4-aminomethyl phenylboronic acid hydrochloride | 2020-12-26 |
| CN-114075190-A | Heterocyclic BTK inhibitors | 2020-08-20 |
| WO-2022037649-A1 | Heterocyclic compounds as btk inhibitors | 2020-08-20 |
| WO-2022037650-A1 | Bridged bicyclic compounds as btk inhibitors | 2020-08-20 |
| CN-114075168-A | Pyrazole derivative and application thereof in medicine | 2020-08-14 |
| CN-113999233-A | BTK inhibitor ring derivative, preparation method and pharmaceutical application thereof | 2020-07-28 |
| US-2022017509-A1 | Gas41 inhibitors and methods of use thereof | 2020-07-10 |
| WO-2022010537-A1 | Gas41 inhibitors and methods of use thereof | 2020-07-10 |
| WO-2021243421-A1 | Dual kinase-bromodomain inhibitors | 2020-06-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 16876411 | 2006-10-01 | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa | Bioorganic & medicinal chemistry letters |
