4-(N,N-Dimethylaminocarbonyl)phenylboronic acid

C9H12BNO3CAS 405520-68-5193.01 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 46 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
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

Weigh it out

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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 4-(Piperidine-1-carbonyl)phenylboronic 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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