3-(Dimethylcarbamoyl)phenylboronic acid

C9H12BNO3CAS 373384-14-6193.01 g/mol

Open in Covalent MOL file
BONHOHO
AmideBoronic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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-(Pyrrolidine-1-carbonyl)phenylboronic acid723281-53-664 % similar 3-Acetylphenylboronic acid204841-19-059 % similar 3-Carboxyphenylboronic acid25487-66-557 % similar 3-(Methylcarbamoyl)benzeneboronic acid832695-88-256 % similar 3-(Methoxycarbonyl)benzeneboronic acid99769-19-455 % similar N,N-Dimethylbenzamide611-74-553 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-051 % 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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