4-(Diethylamino)phenylboronic acid

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Product Information

Molecular Formula
C10H16BNO2
Molecular Weight
193.05
Description
Useful cross-coupling partner in palladium-catalyzed carbon-carbon bond formation (Suzuki Reaction).
Synonyms
[4-(diethylamino)phenyl]boronic acid; (4-(diethylamino)phenyl)boronic acid; 4-diethylaminophenylboronic acid; 4-(DIETHYLAMINO)PHENYLBORONICACID; 4-(Diethylamino)phenylboronic acid, 95.0%; 4-(Diethylamino)phenylboronic acid; [4-(diethylamino)phenyl]boronic acid
IUPAC Name
[4-(diethylamino)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)N(CC)CC)(O)O
InChI
InChI=1S/C10H16BNO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
InChI Key
JEVVHTYCMAMSJL-UHFFFAOYSA-N
Melting Point
211-236 °C
Flash Point
Not applicable
Purity
95.0%

Safety Information

Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
193.1274089 g/mol
Monoisotopic Mass
193.1274089 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
154
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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