4-(Dimethylamino)phenylboronic acid

C₈H₁₂BNO₂CAS 28611-39-4165.00 g/mol

Open in Covalent MOL file

Boronic acid Tertiary amine

Properties

Molecular formula: C₈H₁₂BNO₂
Molar mass: 165.00 g/mol
Exact mass: 165.0961 Da
Melting point: 243–245 °C (decomposes)
logP: -0.57Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

28611-39-4

SMILES

CN(C)c1ccc(B(O)O)cc1

InChIKey

RIIPFHVHLXPMHQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3

Weigh it out

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

Names and synonyms

10 names

Boronic acid, B-[4-(dimethylamino)phenyl]-
Benzeneboronic acid, p-(dimethylamino)-
Boronic acid, [4-(dimethylamino)phenyl]-
B-[4-(Dimethylamino)phenyl]boronic acid
[4-(Dimethylamino)phenyl]boric acid
4-(N,N-Dimethylamino)phenylboronic acid
4-N,N-Dimethylaminobenzeneboronic acid
4-Dimethylaminobenzeneboronic acid
4-N,N-Dimethylphenylboronic acid
[4-(Dimethylamino)phenyl-1-yl]boronic acid

Work with 4-(Dimethylamino)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

Wurster's blue100-22-157 % similar 1,4-Benzenediboronic acid4612-26-457 % similar 4-(4-Methylpiperazin-1-yl)phenylboronic acid229009-40-955 % similar 4-(Diphenylamino)phenylboronic acid201802-67-754 % similar 3-(Dimethylamino)phenylboronic acid hydrochloride (contains varying amounts of anhydride)1256355-23-353 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar [4-[Bis(4-methoxyphenyl)amino]phenyl]boronic Acid (contains varying amounts of Anhydride)201802-29-150 % similar N,N,N',N'-Tetramethylbenzidine366-29-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Dimethylamino)benzeneboronic acid178752-79-9

Elsewhere

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