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

C₁₂H₁₈BNO₂CAS 210907-84-9219.09 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
logP: 1.57Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% 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

210907-84-9

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N

InChIKey

YMXIIVIQLHYKOT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Aminophenylboronic acid pinacol ester

Work with 3-(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

4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-872 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-262 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-660 % similar 2-(3-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane594823-67-360 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-360 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-558 % similar Phenylboronic acid pinacol ester24388-23-658 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-357 % 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 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-8 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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