1-Ethyl-2-methylquinolinium iodide

C₁₂H₁₄INCAS 606-55-3299.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄IN
Molar mass: 299.16 g/mol
Exact mass: 299.0171 Da
Density: 1.69 g/mL
logP: -0.54Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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

606-55-3

SMILES

CC[n+]1c(C)ccc2ccccc21.[I-]

InChIKey

OEVSHJVOKFWBJY-UHFFFAOYSA-M

InChI

InChI=1S/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

9 names

Quinolinium, 1-ethyl-2-methyl-, iodide (1:1)
Quinaldinium, 1-ethyl-, iodide
Quinolinium, 1-ethyl-2-methyl-, iodide
1-Ethylquinaldinium iodide
Quinaldine ethiodide
2-Methylquinoline ethiodide
N-Ethylquinaldinium iodide
N-Ethyl-2-methylquinolinium iodide
1-Ethyl-2-methylquinolin-1-onium

Work with 1-Ethyl-2-methylquinolinium iodide

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

1-Ethylquinolinium iodide634-35-553 % similar Quinaldine red117-92-048 % similar 3-Ethyl-2-methylbenzothiazolium iodide3119-93-548 % similar Carbocyanine605-91-440 % similar Pinacyanol2768-90-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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