B-(2-Aminophenyl)boronic acid

C₆H₈BNO₂CAS 5570-18-3136.94 g/mol

Open in Covalent MOL file

Boronic acid Primary amine

Properties

Molecular formula: C₆H₈BNO₂
Molar mass: 136.94 g/mol
Exact mass: 137.0648 Da
Melting point: 175–176 °C
logP: -1.05Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

5570-18-3

SMILES

Nc1ccccc1B(O)O

InChIKey

DIRRKLFMHQUJCM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(2-aminophenyl)-
Benzeneboronic acid, o-amino-
Boronic acid, (2-aminophenyl)-
2-Aminobenzeneboronic acid
2-Aminophenylboronic acid
o-Aminophenylboronic acid

Work with B-(2-Aminophenyl)boronic 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-Methoxyphenylboronic acid5720-06-948 % similar 2-Methylphenylboronic acid16419-60-648 % similar 1-Naphthylboronic acid13922-41-346 % similar 2-Cyanophenylboronic acid138642-62-345 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-844 % similar 2-Trifluoromethylphenylboronic acid1423-27-443 % similar B-(2-Ethenylphenyl)boronic acid15016-42-943 % similar 2-Methylsulfanylphenylboronic acid168618-42-643 % similar

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

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 3-Aminophenylboronic acid30418-59-8

Elsewhere

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