3-(N,N-Diethylaminocarbonyl)phenylboronic acid

C₁₁H₁₆BNO₃CAS 237413-05-7221.06 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₁H₁₆BNO₃
Molar mass: 221.06 g/mol
Exact mass: 221.1223 Da
logP: -0.15Crippen estimate
Polar surface area: 60.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

237413-05-7

SMILES

B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O

InChIKey

DDHUSSNOKNYLAI-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3

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Work with 3-(N,N-Diethylaminocarbonyl)phenylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Pyrrolidine-1-carbonyl)phenylboronic acid723281-53-672 % similar 3-(Dimethylcarbamoyl)phenylboronic acid373384-14-667 % similar DEET134-62-360 % similar (3-Ethoxycarbonylphenyl)boronic acid4334-87-658 % similar N,N-Diethylbenzamide1696-17-957 % similar 1-Propyl 3-boronobenzoate850568-78-456 % similar 3-Acetylphenylboronic acid204841-19-055 % similar 3-(Methoxycarbonyl)benzeneboronic acid99769-19-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol1054483-78-1 2-(Pivalamido)phenylboronic Acid146140-95-6 4-(Morpholinomethyl)phenylboronic acid279262-23-6 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-1

Elsewhere

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