Oxine-copper

C₁₈H₁₂CuN₂O₂CAS 13014-03-4351.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₂CuN₂O₂
Molar mass: 351.85 g/mol
Exact mass: 351.0195 Da
Density: 1.63 g/mL
Flash point: 200 °C
logP: 2.61Crippen estimate
Polar surface area: 71.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation88.7% of notifiers
H319 Causes serious eye irritation90.3% of notifiers
H330 Fatal if inhaled62.9% of notifiers
H335 May cause respiratory irritation27.4% of notifiers
H400 Very toxic to aquatic life62.9% of notifiers

Aggregated from 62 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13014-03-4

SMILES

C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]

InChIKey

YXLXNENXOJSQEI-UHFFFAOYSA-L

InChI

InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2

Weigh it out

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

Work with Oxine-copper

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

8-Hydroxyquinoline148-24-3Parent compound Tris(8-hydroxyquinolinato)aluminium2085-33-8Salt Hydroxyquinoline sulfate134-31-6Salt Bis(8-hydroxyquinolinato)zinc13978-85-3Salt 8-Quinolinol lithium complex850918-68-2Salt 8-Hydroxyquinoline citrate134-30-5Salt Potassium 8-hydroxyquinoline bisulfate15077-57-3Salt 8-Hydroxyquinoline sulfate monohydrate207386-91-2Salt Bis(8-quinolinolato)copper10380-28-6

Similar compounds

Bis(10-hydroxybenzo[H]quinolinato)beryllium148896-39-359 % similar 1,10-Phenanthroline66-71-752 % similar 8-Bromoquinoline16567-18-348 % similar 8-Chloroquinoline611-33-648 % similar 8-Iodo quinoline1006-47-947 % similar 8-Fluoroquinoline394-68-347 % similar 8-Aminoquinoline578-66-547 % similar 8-Methylquinoline611-32-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook