4-Aminophenylboronic acid

C6H8BNO2CAS 89415-43-0136.94 g/mol

Open in Covalent MOL file
BNH2HOHO
Boronic acidPrimary 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
89415-43-0
SMILES
B(C1=CC=C(C=C1)N)(O)O
InChIKey
MKPDAJWEBQRQCO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8BNO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,8H2

Weigh it out

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

Work with 4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(4-Aminophenyl)boronic acid hydrochloride80460-73-7Salt

Similar compounds

1,4-Benzenediboronic acid4612-26-467 % similar 4,4'-Biphenyldiboronic acid4151-80-857 % similar 4-Hydroxyphenylboronic acid71597-85-852 % similar P-Phenylenediamine106-50-350 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar 4-Fluorophenylboronic acid1765-93-150 % similar 4-Mercaptophenylboronic acid237429-33-350 % similar 4-Iodophenylboronic acid5122-99-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methylpyridine-3-boronic acid148546-82-1 5-Methylpyridine-3-boronic acid173999-18-3 3-Aminophenylboronic acid30418-59-8 4-Methylpyridine-2-boronic acid372963-48-9 5-Methyl-2-pyridineboronic acid372963-49-0 6-Methylpyridine-2-boronic acid372963-50-3 (2-Aminophenyl)boronic acid5570-18-3 2-Methylpyridine-4-boronic acid579476-63-4

Elsewhere

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