3-Aminomethylphenylboronic acid hydrochloride
Product Information
Molecular Formula
C7H11BClNO2
Molecular Weight
187.43
Description
3-Aminomethylphenylboronic acid hydrochloride is a white solid compound used in the biomedical industry as a reagent or building block in organic synthesis. It is commonly utilized for the synthesis of boronic esters, which find applications in the treatment of certain diseases such as cancer and diabetes.
Synonyms
3-Aminomethylphenylboronic acid, HCl; [3-(aminomethyl)phenyl]boronic acid; hydrochloride; 3-Aminomethylphenylboronic acid HCl; (3-Aminomethylphenyl)boronic acid HCl; [3-(aminomethyl)phenyl]boronic acid hydrochloride; Boronic acid, [3-(aminomethyl)phenyl]-, hydrochloride; (3-aminomethyl)benzeneboronic acid hcl; 3-aminomethylphenyl boronic acid HCl; 3-aminomethyl-phenylboronic acid hydrochloride; 3-aminomethylphenyl boronic acid hydrochloride; (3-(Aminomethyl)phenyl)boronicacidhydrochloride; (3-aminomethylphenyl)boronic acid, hydrochloride; 3-(aminomethyl)-phenylboronic acid hydrochloride; (3-(aminomethyl)phenyl) boronic acid hydrochloride
IUPAC Name
[3-(aminomethyl)phenyl]boronic acidhydrochloride
SMILES
B(C1=CC(=CC=C1)CN)(O)O.Cl
InChI
InChI=1S/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5,9H21H
InChI Key
NPTBTFRGCBFYPZ-UHFFFAOYAK
Flash Point
Not applicable
Purity
96%
Safety Information
Hazards
H302 - H315 - H318 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338 + P310
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
121
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-112920208-A | Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof | 2021-01-28 |
| CN-112679535-A | Small molecule PAD4 inhibitor and preparation method and application thereof | 2021-01-06 |
| CN-112280227-A | PVA plasticizer composition and PVA optical film | 2020-11-10 |
| CN-111956596-A | Microneedle patch capable of responsively releasing drugs and preparation method thereof | 2020-08-13 |
| WO-2021243421-A1 | Dual kinase-bromodomain inhibitors | 2020-06-05 |
| US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| TW-202114636-A | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021046307-A1 | Hybridized poly(amidoamine)-amino acid dendrimers | 2019-09-04 |
| WO-2020140001-A1 | Quinazoline derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 2018-12-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 1030 | 1975-12-01 | Phase changes induced by cyclopropane of phosphatidylserine bilayers in the presence and absence of calcium | Biochemical and biophysical research communications |
