2-(4-boronophenyl)-2-methylpropanenitrile

Product Information

Molecular Formula:
C10H12BNO2
Molecular Weight:
189.02
Description
2-(4-boronophenyl)-2-methylpropanenitrile is an integral biochemical compound that holds distinct prominence in both medical and pharmaceutical research, underpinning comprehensive drug synthesis and exploration, particularly for neoplastic and metabolic disorders. Its unique architectural inheritance edifies targeted drug delivery systems, augmenting their potency and precision.
Synonyms
4-(2-CYANOPROPAN-2-YL)PHENYLBORONIC ACID; [4-(2-cyanopropan-2-yl)phenyl]boronic acid; (4-(2-cyanopropan-2-yl)phenyl)boronic acid; [4-(1-Cyano-1-methylethyl)phenyl]boronic acid; 4-(2-CYANOPROP-2-YL)BENZENEBORONIC ACID; 4-(2-Cyanopropan-2-yl)benzeneboronic acid; [4-(1cyano-1-methylethyl)phenyl]boronic acid; 4-(1-cyano-1-methylethyl)phenyl boronic acid; 2-(4-boronophenyl)-2-methylpropanenitrile; BORONIC ACID, [4-(1-CYANO-1-METHYLETHYL)PHENYL]-
IUPAC Name
[4-(2-cyanopropan-2-yl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O
InChI
InChI=1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3
InChI Key
BNXBFDTWYHAEIR-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
189.0961088 g/mol
Monoisotopic Mass
189.0961088 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
236
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-2021130638-A1 Diacylglycerol kinase modulating compounds 2019-12-24
WO-2019089626-A1 Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors 2017-10-30
EP-3704102-A1 Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors 2017-10-30
US-2021179630-A1 Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors 2017-10-30
US-2019076401-A1 Cyanoindazole compounds and uses thereof 2017-09-08
WO-2019051199-A1 6-CYANO-INDAZOLE COMPOUNDS AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS 2017-09-08
US-10722495-B2 Cyanoindazole compounds and uses thereof 2017-09-08
TW-201811799-A Pyrazolopyrimidine compound and use thereof 2016-09-09
US-2018072741-A1 Pyrazolopyrimidine compounds and uses thereof 2016-09-09
US-2020172545-A1 Pyrazolopyrimidine compounds and uses thereof 2016-09-09
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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