4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine

C₁₅H₂₃BN₂O₃CAS 485799-04-0290.17 g/mol

Open in Covalent MOL file

Boronic ester Ether Tertiary amine

Properties

Molecular formula: C₁₅H₂₃BN₂O₃
Molar mass: 290.17 g/mol
Exact mass: 290.1802 Da
logP: 1.22Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled33.3% 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, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

485799-04-0

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCOCC3

InChIKey

ZGDLVKWIZHHWIR-UHFFFAOYSA-N

InChI

InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3

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Names and synonyms

1 names

6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester

Work with 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl)morpholine

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-(Pyrrolidin-1-yl)pyridine-3-boronic acid, pinacol ester933986-97-179 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine568577-88-865 % similar 6-(Morpholino)pyridine-3-boronic Acid (contains varying amounts of Anhydride)904326-93-863 % similar 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester496786-98-260 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-055 % similar 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine364794-79-655 % similar 2-Picoline-5-boronic acid pinacolate610768-32-654 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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