4-(Morpholinomethyl)phenylboronic acid

C11H16BNO3CAS 279262-23-6221.06 g/mol

Open in Covalent MOL file
BNOHOHO
Boronic acidEtherTertiary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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-(Morpholinomethyl)aniline51013-67-356 % similar [4-(Morpholine-4-carbonyl)phenyl]boronic acid389621-84-551 % similar 4-(Morpholin-4-ium-4-ylmethyl)benzoate62642-62-051 % similar 6-(Morpholino)pyridine-3-boronic Acid (contains varying amounts of Anhydride)904326-93-849 % similar 4-(Hydroxymethyl)benzeneboronic acid59016-93-245 % similar (4-Ethylphenyl)boronic acid63139-21-944 % 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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