chempirical

(3-Aminomethylphenyl)boronic acid hydrochloride

C7H11BClNO2CAS 352525-94-1187.43 g/mol

Open in Covalent MOL file
HClH2NBHOOH
Boronic acidPrimary amine

Properties

Molecular formula
C7H11BClNO2
Molar mass
187.43 g/mol
Exact mass
187.0571 Da
logP
-0.75Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
352525-94-1
SMILES
Cl.NCc1cccc(B(O)O)c1
InChIKey
NPTBTFRGCBFYPZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4,10-11H,5,9H2;1H

Weigh it out

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

Names and synonyms

2 names
  • Boronic acid, B-[3-(aminomethyl)phenyl]-, hydrochloride (1:1)
  • Boronic acid, [3-(aminomethyl)phenyl]-, hydrochloride

Work with (3-Aminomethylphenyl)boronic acid hydrochloride

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

(3-Hydroxymethyl)phenylboronic acid87199-15-358 % similar 3-(Bromomethyl)phenylboronic acid51323-43-456 % similar 3-Aminophenylboronic acid hydrochloride85006-23-156 % similar [[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amine hydrochloride380430-65-955 % similar M-Xylylenediamine1477-55-052 % similar m-Iodobenzylamine hydrochloride3718-88-551 % similar 3-Fluorophenylboronic acid768-35-448 % similar Benzylammonium chloride3287-99-848 % similar

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

Elsewhere

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