[4-(Morpholine-4-carbonyl)phenyl]boronic acid

C₁₁H₁₄BNO₄CAS 389621-84-5235.05 g/mol

Open in Covalent MOL file

Amide Boronic acid Ether

Properties

Molecular formula: C₁₁H₁₄BNO₄
Molar mass: 235.05 g/mol
Exact mass: 235.1016 Da
logP: -1.16Crippen estimate
Polar surface area: 70.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

389621-84-5

SMILES

O=C(c1ccc(B(O)O)cc1)N1CCOCC1

InChIKey

KMNLIQJXZPBCDU-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2

Weigh it out

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Names and synonyms

7 names

(4-(Morpholine-4-carbonyl)phenyl)boronic acid
Boronic acid, B-[4-(4-morpholinylcarbonyl)phenyl]-
Boronic acid, [4-(4-morpholinylcarbonyl)phenyl]-
B-[4-(4-Morpholinylcarbonyl)phenyl]boronic acid
[4-[(Morpholin-4-yl)carbonyl]phenyl]boronic acid
(4-Morpholinocarbonylphenyl)boronic acid
4-(Morpholinocarbonyl)benzeneboronic acid

Work with [4-(Morpholine-4-carbonyl)phenyl]boronic 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-(Pyrrolidine-1-carbonyl)phenyl)boronic acid389621-81-276 % similar 4-(Piperidine-1-carbonyl)phenylboronic acid389621-83-474 % similar 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-165 % similar (4-Aminophenyl)(morpholino)methanone51207-86-459 % similar 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid405520-68-557 % similar 4-Morpholinophenylboronic acid186498-02-254 % similar 3-(Pyrrolidine-1-carbonyl)phenylboronic acid723281-53-652 % similar 4-(Morpholinomethyl)phenylboronic acid279262-23-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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