3-(tert-Butylaminocarbonyl)phenylboronic acid

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Product Information

Molecular Formula:
C11H16BNO3
Molecular Weight:
221.06
Description
3-(tert-Butylaminocarbonyl)phenylboronic acid, a highly significant compound within the biomedical sector, holds immense importance in the synthesis of pharmaceutical agents designed to combat a diverse array of illnesses. As a basic chemical, this product plays a pivotal role in the development of innovative therapeutics targeting ailments like cancer, diabetes, and inflammatory disorders.
Synonyms
(3-(tert-Butylcarbamoyl)phenyl)boronic acid; 3-(TERT-BUTYLAMINOCARBONYL)PHENYLBORONIC ACID; 3-(t-Butylaminocarbonyl)phenylboronic acid; [3-(tert-butylcarbamoyl)phenyl]boronic Acid; 3-(tert-butylcarbamoyl)phenylboronic acid; 3-(tert-Butylaminocarbonyl)benzeneboronic acid; (3-(tert-Butylcarbamoyl)phenyl)boronicacid; 3-[(tert-Butyl)carbamoyl]benzeneboronic acid; 3-(tert-Butylaminocarbonyl)phenylboronic acid; Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-(9ci)
IUPAC Name
[3-(tert-butylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)C(=O)NC(C)(C)C)(O)O
InChI
InChI=1S/C11H16BNO3/c1-11(2,3)13-10(14)8-5-4-6-9(7-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
InChI Key
MAFLCTFKZXDGGQ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
221.1223235 g/mol
Monoisotopic Mass
221.1223235 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
250
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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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