4-Morpholinophenylboronic acid

C₁₀H₁₄BNO₃CAS 186498-02-2207.04 g/mol

Open in Covalent MOL file

Boronic acid Ether Tertiary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin16.7% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

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

4-(4-Methylpiperazin-1-yl)phenylboronic acid229009-40-961 % similar 6-(Morpholino)pyridine-3-boronic Acid (contains varying amounts of Anhydride)904326-93-860 % similar 4-(Morpholinomethyl)phenylboronic acid279262-23-659 % 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 4-(4-Bromophenyl)morpholine30483-75-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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