4-(Morpholinomethyl)phenylboronic acid

C₁₁H₁₆BNO₃CAS 279262-23-6221.06 g/mol

Open in Covalent MOL file

Boronic acid Ether Tertiary amine

Properties

Molecular formula: C₁₁H₁₆BNO₃
Molar mass: 221.06 g/mol
Exact mass: 221.1223 Da
logP: -0.80Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

279262-23-6

SMILES

B(C1=CC=C(C=C1)CN2CCOCC2)(O)O

InChIKey

QPFDUULIDNELSE-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2

Weigh it out

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

Work with 4-(Morpholinomethyl)phenylboronic acid

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-Morpholinophenylboronic acid186498-02-259 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine364794-79-656 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-551 % similar (6-Morpholino-3-pyridinyl)boronic acid904326-93-849 % similar (4-Ethylphenyl)boronic acid63139-21-944 % similar (4-Propylphenyl)boronic acid134150-01-943 % similar 1,4-Benzenediboronic acid4612-26-443 % similar 4-Butylphenylboronic acid145240-28-441 % similar

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

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol1054483-78-1 2-(Pivalamido)phenylboronic Acid146140-95-6 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-7 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-1

Elsewhere

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