3-(Dimethylcarbamoyl)phenylboronic acid

C₉H₁₂BNO₃CAS 373384-14-6193.01 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

Identifiers

CAS number

373384-14-6

SMILES

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

InChIKey

DCXXIDMHTQDSLY-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-(Dimethylcarbamoyl)benzeneboronic acid

Work with 3-(Dimethylcarbamoyl)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-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-767 % similar 3-Acetylphenylboronic acid204841-19-059 % similar 3-Carboxyphenylboronic acid25487-66-557 % similar N,N-Dimethylbenzamide611-74-553 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-051 % similar 1-(1-Methylethyl) 3-boronobenzoate342002-80-651 % similar (3-Ethoxycarbonylphenyl)boronic acid4334-87-651 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-449 % similar

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

Same formula

4-(N,N-Dimethylaminocarbonyl)phenylboronic acid405520-68-5

Elsewhere

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