[4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)

C₂₀H₂₀BNO₄CAS 201802-29-1349.19 g/mol

Open in Covalent MOL file

Boronic acid Ether Tertiary amine

Properties

Molecular formula: C₂₀H₂₀BNO₄
Molar mass: 349.19 g/mol
Exact mass: 349.1485 Da
logP: 2.85Crippen estimate
Polar surface area: 62.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6

Identifiers

CAS number

201802-29-1

SMILES

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

InChIKey

HDVVFJKYLNSKOG-UHFFFAOYSA-N

InChI

InChI=1S/C20H20BNO4/c1-25-19-11-7-17(8-12-19)22(18-9-13-20(26-2)14-10-18)16-5-3-15(4-6-16)21(23)24/h3-14,23-24H,1-2H3

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Names and synonyms

1 names

Boronic acid, B-[4-[bis(4-methoxyphenyl)amino]phenyl]-

Work with [4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)

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

(4-Methoxyphenyl)boronic acid5720-07-078 % similar 4-(Dimethylamino)phenylboronic acid28611-39-450 % similar 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene207739-72-847 % similar 4-Methoxy-N,N-dimethylbenzenamine701-56-447 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-946 % similar 3,4-Dimethoxyphenylboronic acid122775-35-346 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-345 % similar 1,4-Dimethoxybenzene150-78-744 % similar

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

Elsewhere

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