4-Aminomethylphenylboronic acid hydrochloride

Product Information

Molecular Formula:
C7H11BClNO2
Molecular Weight:
187.43
Description
4-Aminomethylphenylboronic acid hydrochloride (CAS# 75705-21-4) is the salt form of A292475.
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
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
LogP
0.32740

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Top
Inquiry Basket