4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

C₉H₁₂BNO₃CAS 405520-68-5193.01 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₉H₁₂BNO₃
Molar mass: 193.01 g/mol
Exact mass: 193.0910 Da
logP: -0.93Crippen estimate
Polar surface area: 60.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

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

Identifiers

CAS number

405520-68-5

SMILES

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

InChIKey

QJYYVSIRDJVQJW-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3

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Names and synonyms

1 names

4-(Dimethylcarbamoyl)phenylboronic Acid

Work with 4-(N,N-Dimethylaminocarbonyl)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

4-(Diethylcarbamoyl)phenylboronic Acid389621-80-163 % similar (4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid389621-81-260 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-458 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-557 % similar N,N-Dimethylbenzamide611-74-555 % similar 4-Acetylphenylboronic acid149104-90-555 % similar 4-Amino-N,N-dimethylbenzamide6331-71-155 % similar 4-Carbamoylphenylboronic acid123088-59-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Dimethylcarbamoyl)phenylboronic acid373384-14-6

Elsewhere

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