3-Aminophenylboronic acid

C₆H₈BNO₂CAS 30418-59-8136.94 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
logP: -1.05Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

30418-59-8

SMILES

Nc1cccc(B(O)O)c1

InChIKey

JMZFEHDNIAQMNB-UHFFFAOYSA-N

InChI

InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)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

8 names

Boronic acid, B-(3-aminophenyl)-
Benzeneboronic acid, m-amino-
Boronic acid, (3-aminophenyl)-
B-(3-Aminophenyl)boronic acid
m-Aminobenzeneboronic acid
3-Aminobenzeneboronic acid
m-Aminophenylboronic acid
3-Aminophenyl(dihydroxy)borane

Work with 3-Aminophenylboronic 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

3-Aminophenylboronic acid hydrochloride85006-23-188 % similar (3-Aminophenyl)boronic acid hemisulfate66472-86-473 % similar 3-Fluorophenylboronic acid768-35-454 % similar (3-Hydroxyphenyl)boronic acid87199-18-654 % similar M-Phenylenediamine108-45-252 % similar 3-Methylphenylboronic acid17933-03-852 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-348 % similar Phenylboronic acid98-80-648 % similar

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

Same formula

B-(2-Aminophenyl)boronic acid5570-18-3

Elsewhere

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