2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

C₁₀H₁₆BF₄N₃O₂CAS 125700-71-2297.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆BF₄N₃O₂
Molar mass: 297.06 g/mol
Exact mass: 297.1272 Da
logP: 0.77Crippen estimate
Polar surface area: 37.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H314 Causes severe skin burns and eye damage16.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

125700-71-2

SMILES

[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C=CC=CC1=O

InChIKey

CZQGINAUZYECAI-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N3O2.BF4/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1

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Names and synonyms

1 names

O-(2-Oxo-1(2H)-pyridyl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate

Work with 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

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

N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-855 % similar 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate873798-09-547 % similar Hdbtu164861-52-343 % similar 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate105832-38-041 % similar O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-636 % similar N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate255825-38-836 % similar 2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-73-435 % similar Totu136849-72-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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