chempirical

4-(Dimethylamino)phenylboronic acid

C8H12BNO2CAS 28611-39-4165.00 g/mol

Open in Covalent MOL file
NBOHOH
Boronic acidTertiary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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 3-(Dimethylamino)phenylboronic acid hydrochloride (contains varying amounts of anhydride)1256355-23-353 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar N,N,N′,N′-Tetramethylbenzidine366-29-050 % similar P-Tolylboronic acid5720-05-850 % similar Tetramethyl-P-phenylenediamine dihydrochloride637-01-450 % similar (4-Hydroxyphenyl)boronic acid71597-85-846 % similar Dimethyl-P-toluidine99-97-846 % similar

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

Elsewhere

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