3-Aminophenylboronic acid hydrochloride

C₆H₉BClNO₂CAS 85006-23-1173.40 g/mol

Open in Covalent MOL file

Boronic acid Primary amine

Properties

Molecular formula: C₆H₉BClNO₂
Molar mass: 173.40 g/mol
Exact mass: 173.0415 Da
logP: -0.63Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

85006-23-1

SMILES

Cl.Nc1cccc(B(O)O)c1

InChIKey

QBMHZZHJIBUPOX-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(3-aminophenyl)-, hydrochloride (1:1)
Boronic acid, (3-aminophenyl)-, hydrochloride
(m-Aminophenyl)boronic acid hydrochloride

Work with 3-Aminophenylboronic acid hydrochloride

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-Aminophenylboronic acid30418-59-888 % similar (3-Aminophenyl)boronic acid hemisulfate66472-86-467 % similar M-Phenylenediamine hydrochloride541-69-558 % similar (3-Aminomethylphenyl)boronic acid hydrochloride352525-94-156 % similar m-Aminophenol hydrochloride51-81-052 % similar 3-(Dimethylamino)phenylboronic acid hydrochloride (contains varying amounts of anhydride)1256355-23-351 % similar 3-Chloroaniline hydrochloride141-85-548 % similar 3-Fluorophenylboronic acid768-35-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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