1-Cyano-4-(dimethylamino)pyridinium tetrafluoroborate

C₈H₁₀BF₄N₃CAS 59016-56-7234.99 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₈H₁₀BF₄N₃
Molar mass: 234.99 g/mol
Exact mass: 235.0904 Da
logP: 1.67Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

59016-56-7

SMILES

[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N

InChIKey

MBLVMDCQDCVKNE-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N3.BF4/c1-10(2)8-3-5-11(7-9)6-4-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1

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Names and synonyms

1 names

Cdap

Work with 1-Cyano-4-(dimethylamino)pyridinium 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

4-(Dimethylamino)benzonitrile1197-19-939 % similar Dimethylaniline121-69-738 % similar Wurster's blue100-22-137 % similar p-Dimethylaminophenyl thiocyanate7152-80-936 % similar 4-Fluoro-N,N-dimethylaniline403-46-334 % similar N,N,N',N'-Tetramethylbenzidine366-29-033 % similar Tetramethyl-p-phenylenediamine dihydrochloride637-01-433 % similar p-Tricyanovinyl-N,N-dimethylaniline6673-15-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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