3-(N-Methylaminocarbonyl)benzeneboronic acid

Product Information

Molecular Formula:
C8H10BNO3
Molecular Weight:
178.98
Description
3-(N-Methylaminocarbonyl)benzeneboronic acid is a compound of paramount significance in the domain of biomedicine. It is profoundly employed in the realm of synthesizing pharmaceutical drugs and in conducting research endeavors encompassing multifarious diseases. This compound assumes a pivotal role in the amelioration of specific medical ailments and finds extensive application in biomedical research endeavors, particularly pertaining to the evolution of novel medicaments.
Synonyms
3-(N-Methylaminocarbonyl)phenylboronic acid; (3-(Methylcarbamoyl)phenyl)boronic acid; 3-(Methylcarbamoyl)benzeneboronic acid; 3-(methylcarbamoyl)phenylboronic acid; [3-(methylcarbamoyl)phenyl]boronic Acid; 3-(N-Methylaminocarbonyl)benzeneboronic acid; Boronic acid, [3-[(methylamino)carbonyl]phenyl]-; 3-(METHYLAMINOCARBONYL)BENZENEBORONIC ACID; 3-(methyl-carbamoyl)phenylboronic acid
IUPAC Name
[3-(methylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)NC)(O)O
InChI
InChI=1S/C8H10BNO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
FYFFPNFUVMBPRZ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302 - H315 - H318 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
179.0753733 g/mol
Monoisotopic Mass
179.0753733 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
186
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
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
WO-2021201036-A1 Hydroxypyrrolidine derivative and medicinal application thereof 2020-03-31
US-2021214366-A1 Bicyclic heterocycles as fgfr inhibitors 2020-01-15
WO-2021146424-A1 Bicyclic heterocycles as fgfr inhibitors 2020-01-15
WO-2021088787-A1 Quinazoline compound used as axl inhibitor 2019-11-07
US-2021115053-A1 Bicyclic heterocycles as fgfr inhibitors 2019-10-16
WO-2021076728-A1 Bicyclic heterocycles as fgfr inhibitors 2019-10-16
US-2021269454-A1 Cycloalkane-1,3-diamine derivative 2018-12-06
US-11236106-B2 Cycloalkane-1,3-diamine derivative 2018-12-06
EP-3885348-A1 Novel tricyclic compound as irak4 inhibitor 2018-11-21
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

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