2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C₁₂H₁₈BNO₂CAS 191171-55-8219.09 g/mol

Open in Covalent MOL file

Boronic ester Primary amine

Properties

Molecular formula: C₁₂H₁₈BNO₂
Molar mass: 219.09 g/mol
Exact mass: 219.1431 Da
Melting point: 67–68 °C
logP: 1.57Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

191171-55-8

SMILES

CC1(C)OB(c2ccccc2N)OC1(C)C

InChIKey

ZCJRWQDZPIIYLM-UHFFFAOYSA-N

InChI

InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3

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

Names and synonyms

5 names

Benzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamine
2-(2-Aminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Work with 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-461 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-059 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-458 % similar 2-(2-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane870195-94-158 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-458 % similar 2-(1-Naphthylene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-52-956 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-254 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide377780-72-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpyridine-3-boronic acid pinacol ester1012084-56-8 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1171891-31-8 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-9 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-3 2-Picoline-5-boronic acid pinacolate610768-32-6 2-Methylpyridine-4-boronic acid pinacol ester660867-80-1

Elsewhere

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