[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
BNOOOHHO
Boronic acidEtherTertiary 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 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
201802-29-1
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-(Diphenylamino)phenylboronic acid201802-67-758 % similar 4-Methoxy-N-(4-methoxyphenyl)-N-phenylaniline20440-94-258 % similar 6-Methoxy-2-naphthaleneboronic acid156641-98-456 % similar 4-Bromo-N,N-bis(4-methoxyphenyl)aniline194416-45-055 % similar 3,5-Dimethoxyphenylboronic acid192182-54-050 % similar 4-(Dimethylamino)phenylboronic acid28611-39-450 % similar 4-(Bis(4-methoxyphenyl)amino)benzaldehyde89115-20-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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