4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine

C₁₆H₂₄BNO₃CAS 568577-88-8289.18 g/mol

Open in Covalent MOL file

Boronic ester Ether Tertiary amine

Properties

Molecular formula: C₁₆H₂₄BNO₃
Molar mass: 289.18 g/mol
Exact mass: 289.1849 Da
Melting point: 98.6–99 °C
logP: 1.82Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

568577-88-8

SMILES

CC1(C)OB(c2ccc(N3CCOCC3)cc2)OC1(C)C

InChIKey

UCPALIMHMYIZPZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)18-9-11-19-12-10-18/h5-8H,9-12H2,1-4H3

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Names and synonyms

2 names

Morpholine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
N-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]morpholine

Work with 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine

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

2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-747 % similar 4-Morpholinoaniline2524-67-646 % similar 4-Phenylmorpholine92-53-546 % similar 4-Formylphenylboronic acid pinacol ester128376-64-745 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-245 % similar 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide1092563-25-145 % similar N-Phenylaza-15-crown-566750-10-544 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-544 % similar

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

Elsewhere

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