N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C₁₄H₂₂BNO₂CAS 171364-78-6247.15 g/mol

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Boronic ester Tertiary amine

Properties

Molecular formula: C₁₄H₂₂BNO₂
Molar mass: 247.15 g/mol
Exact mass: 247.1744 Da
logP: 2.05Crippen estimate
Polar surface area: 21.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

171364-78-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C)C

InChIKey

DGMLJJIUOFKPKB-UHFFFAOYSA-N

InChI

InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3

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Names and synonyms

1 names

4-(N,N-Dimethylamino)phenylboronic acid, pinacol ester

Work with N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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

Diphenyl-(4-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-phenyl)-amine267221-88-564 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-862 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-858 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-858 % similar Phenylboronic acid pinacol ester24388-23-657 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-456 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-356 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-356 % similar

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

Elsewhere

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