chempirical

4-Morpholinophenylboronic acid

C10H14BNO3CAS 186498-02-2207.04 g/mol

Open in Covalent MOL file
BNOHOHO
Boronic acidEtherTertiary amine

Properties

Molecular formula
C10H14BNO3
Molar mass
207.04 g/mol
Exact mass
207.1067 Da
logP
-0.80Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
186498-02-2
SMILES
B(C1=CC=C(C=C1)N2CCOCC2)(O)O
InChIKey
WHDIUBHAKZDSJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H14BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2

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Names and synonyms

1 names
  • (4-(Morpholin-4-yl)phenyl)boronic acid

Work with 4-Morpholinophenylboronic 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

(6-Morpholino-3-pyridinyl)boronic acid904326-93-860 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-554 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-854 % similar 4-Phenylmorpholine92-53-553 % similar 4-Morpholinoaniline2524-67-653 % similar N-Phenylaza-15-crown-566750-10-552 % similar 4-Morpholinobenzaldehyde1204-86-049 % similar 4-(Dimethylamino)phenylboronic acid28611-39-447 % similar

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

Elsewhere

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