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

C₁₇H₂₆BNO₃CAS 364794-79-6303.21 g/mol

Open in Covalent MOL file

Boronic ester Ether Tertiary amine

Properties

Molecular formula: C₁₇H₂₆BNO₃
Molar mass: 303.21 g/mol
Exact mass: 303.2006 Da
logP: 1.82Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

364794-79-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3

InChIKey

JOIXYIWXEYXHHG-UHFFFAOYSA-N

InChI

InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3

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Names and synonyms

1 names

4-((Morpholino)methyl)phenylboronic acid pinacol ester

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

4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide1092563-25-167 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-864 % similar 4-(Morpholinomethyl)phenylboronic acid279262-23-656 % similar 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine485799-04-055 % similar 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane138500-85-354 % similar 4-(Hydroxymethyl)benzeneboronic acid pinacol ester302348-51-254 % similar N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline171364-78-651 % similar 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile138500-86-450 % similar

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

Elsewhere

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