1-Butyl-3-methylimidazolium hydrogen sulfate

C₈H₁₆N₂O₄SCAS 262297-13-2236.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆N₂O₄S
Molar mass: 236.29 g/mol
Exact mass: 236.0831 Da
logP: 0.12Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

262297-13-2

SMILES

CCCCN1C=C[N+](=C1)C.OS(=O)(=O)[O-]

InChIKey

KXCVJPJCRAEILX-UHFFFAOYSA-M

InChI

InChI=1S/C8H15N2.H2O4S/c1-3-4-5-10-7-6-9(2)8-10;1-5(2,3)4/h6-8H,3-5H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

1 names

1-Butyl-3-methylimidazolium hydrogensulfate

Work with 1-Butyl-3-methylimidazolium hydrogen sulfate

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-Butyl-3-methylimidazolium hexafluorophosphate174501-64-5Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Butyl-3-methylimidazolium chloride79917-90-1Salt 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-6Salt 1-Butyl-3-methylimidazolium bromide85100-77-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt 1-Butyl-3-methylimidazolium acetate284049-75-8Salt 1-Butyl-3-methylimidazolium dicyanamide448245-52-1Salt 1-Butyl-3-methylimidazolium iodide65039-05-6Salt 1-Butyl-3-methylimidazolium methanesulfonate342789-81-5Salt 1-Butyl-3-methylimidazolium nitrate179075-88-8Salt

Similar compounds

1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-858 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-556 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-956 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-656 % similar 1-Decyl-3-methylimidazolium chloride171058-18-756 % similar 1-Decyl-3-methylimidazolium bromide188589-32-456 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-656 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-156 % similar

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

Same formula

1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5

Elsewhere

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