chempirical

1-Ethyl-3-methylimidazolium diethylphosphate

C10H21N2O4PCAS 848641-69-0264.26 g/mol

Open in Covalent MOL file
NN+OPOO−O
Phosphate

Properties

Molecular formula
C10H21N2O4P
Molar mass
264.26 g/mol
Exact mass
264.1239 Da
logP
0.86Crippen estimate
Polar surface area
67.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
848641-69-0
SMILES
CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC
InChIKey
HQWOEDCLDNFWEV-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.C4H11O4P/c1-3-8-5-4-7(2)6-8;1-3-7-9(5,6)8-4-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1

Weigh it out

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Names and synonyms

1 names
  • 1-Ethyl-3-methyl-1H-imidazol-3-ium diethyl phosphate

Work with 1-Ethyl-3-methylimidazolium diethylphosphate

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.

1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Ethyl-3-methylimidazolium bromide65039-08-9Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt 1-Methylimidazole ethiodide35935-34-3Salt 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-0Salt 1-Ethyl-3-methylimidazolium nitrate143314-14-1Salt 1-Ethyl-3-methylimidazolium P-toluenesulfonate328090-25-1Salt

Similar compounds

1-Methyl-3-propylimidazolium iodide119171-18-541 % similar 1-Propyl-3-methylimidazolium bromide85100-76-141 % similar 1-Butyl-3-methylimidazolium nitrate179075-88-840 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-640 % similar 1-Butyl-3-methylimidazolium iodide65039-05-639 % similar 1-Butyl-3-methylimidazolium chloride79917-90-139 % similar 1-Butyl-3-methylimidazolium bromide85100-77-239 % similar 1-Butyl-3-methylimidazolium acetate284049-75-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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