chempirical

[[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amine hydrochloride

C13H21BClNO2CAS 380430-65-9269.58 g/mol

Open in Covalent MOL file
OBH2NOHCl
Boronic esterPrimary amine

Properties

Molecular formula
C13H21BClNO2
Molar mass
269.58 g/mol
Exact mass
269.1354 Da
logP
1.87Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
380430-65-9
SMILES
CC1(C)OB(c2cccc(CN)c2)OC1(C)C.Cl
InChIKey
BZZYJHQGJDCCCZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15;/h5-8H,9,15H2,1-4H3;1H

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Names and synonyms

5 names
  • Benzenemethanamine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1)
  • Benzenemethanamine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride
  • [3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride
  • [3-(Aminomethyl)phenyl]boronic acid pinacol ester hydrochloride
  • [3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride

Work with [[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amine 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-Aminomethylphenyl)boronic acid hydrochloride352525-94-155 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-651 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-550 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-349 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-048 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-346 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-746 % similar m-Iodobenzylamine hydrochloride3718-88-544 % similar

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

Elsewhere

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