3-(N,N-dimethylaminocarbonyl)benzene boronic acid

Product Information

Molecular Formula:
C9H12BNO3
Molecular Weight:
193.01
Description
3-(N,N-dimethylaminocarbonyl)benzene boronic acid is a small molecule compound widely used in the biomedical field. It demonstrates its potent inhibitory properties, making it a potential prodrug for antitumor drug development.
Synonyms
(3-(Dimethylcarbamoyl)phenyl)boronic acid; 3-(Dimethylcarbamoyl)phenylboronic acid; 3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID; [3-(dimethylcarbamoyl)phenyl]boronic Acid; N,N-Dimethylbenzamide-3-boronic acid; 3-(N,N-Dimethylaminocarbonyl)benzene boronic acid; 3-(Dimethylcarbamoyl)benzeneboronic Acid; BORONIC ACID, [3-[(DIMETHYLAMINO)CARBONYL]PHENYL]-; 3-(Dimethylaminocarbonyl)benzeneboronic acid
IUPAC Name
[3-(dimethylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H12BNO3/c1-11(2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3
InChI Key
DCXXIDMHTQDSLY-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
193.0910234 g/mol
Monoisotopic Mass
193.0910234 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
208
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-2021088787-A1 Quinazoline compound used as axl inhibitor 2019-11-07
WO-2021065893-A1 Tetralin derivative or pharmaceutically acceptable acid addition salt thereof 2019-09-30
WO-2021055744-A1 4-substituted indole and indazole sulfonamido derivatives as parg inhibitors 2019-09-20
WO-2020121261-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
US-2020223827-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
AU-2019398910-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
BR-112021010341-A2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CA-3120240-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 2018-12-14
EP-3894398-A1 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same 2018-12-14
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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