4-(Diphenylamino)phenylboronic acid

C₁₈H₁₆BNO₂CAS 201802-67-7289.14 g/mol

Open in Covalent MOL file

Boronic acid Tertiary amine

Properties

Molecular formula: C₁₈H₁₆BNO₂
Molar mass: 289.14 g/mol
Exact mass: 289.1274 Da
logP: 2.84Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

201802-67-7

SMILES

B(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)(O)O

InChIKey

TWWQCBRELPOMER-UHFFFAOYSA-N

InChI

InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H

Weigh it out

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

Names and synonyms

1 names

4-(Diphenylamino)phenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-(Diphenylamino)phenylboronic 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

Phenylboronic acid98-80-661 % similar [4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)201802-29-158 % similar 4-Biphenylboronic acid5122-94-158 % similar 1,4-Benzenediboronic acid4612-26-455 % similar Triphenylamine603-34-955 % similar 4-(Dimethylamino)phenylboronic acid28611-39-454 % similar N,N,N′,N′-Tetraphenylbenzidine15546-43-752 % similar 4-Phenoxyphenylboronic acid51067-38-052 % similar

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

Elsewhere

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