2-(Pivalamido)phenylboronic Acid

C₁₁H₁₆BNO₃CAS 146140-95-6221.06 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: 0.35Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

146140-95-6

SMILES

B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O

InChIKey

MXRAJVMTCAUABO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

2-(tert-Butylcarbonylamino)phenylboronic acid

Work with 2-(Pivalamido)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

2-Acetamidophenylboronic acid169760-16-161 % similar B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-245 % similar 2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-845 % similar 2-Acetylphenylboronic acid308103-40-441 % similar N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide380430-61-540 % similar (2-[(tert-Butoxycarbonyl)amino]pyridin-3-yl)boronic acid863753-35-939 % similar 2-Carboxyphenylboronic acid149105-19-139 % similar 1-Methyl 2-boronobenzoate374538-03-139 % 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 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-7 4-(Morpholinomethyl)phenylboronic acid279262-23-6 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-1

Elsewhere

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