1-Ethylquinolinium iodide

C11H12INCAS 634-35-5285.13 g/mol

Open in Covalent MOL file
N+I−

Properties

Molecular formula
C11H12IN
Molar mass
285.13 g/mol
Exact mass
285.0014 Da
Melting point
156 °C
logP
-0.85Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
634-35-5
SMILES
CC[n+]1cccc2ccccc21.[I-]
InChIKey
PMYUGMDDIBOXQM-UHFFFAOYSA-M
InChI
InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1

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

Names and synonyms

4 names
  • Quinolinium, 1-ethyl-, iodide (1:1)
  • Quinolinium, 1-ethyl-, iodide
  • N-Ethylquinolinium iodide
  • Quinoline ethiodide

Work with 1-Ethylquinolinium 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-Ethyl-2-methylquinolinium iodide606-55-353 % similar 3-Ethyl-2-methylbenzothiazolium iodide3119-93-540 % similar Quinoline 1-oxide1613-37-239 % similar Quinaldine red117-92-039 % similar 2-Bromo-1-ethylpyridinium tetrafluoroborate878-23-938 % similar Quinoline N-oxide hydrate64201-64-536 % similar 1-Ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]quinolinium iodide4727-50-833 % similar Carbocyanine605-91-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook