1-Butyl-3-methylimidazolium chloride

C₈H₁₅ClN₂CAS 79917-90-1174.67 g/mol

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Properties

Molecular formula: C₈H₁₅ClN₂
Molar mass: 174.67 g/mol
Exact mass: 174.0924 Da
Density: 1.08 g/mL (at 25 °C)
Melting point: 68.8 °C
logP: -1.88Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

79917-90-1

SMILES

CCCCn1cc[n+](C)c1.[Cl-]

InChIKey

FHDQNOXQSTVAIC-UHFFFAOYSA-M

InChI

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

Weigh it out

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

Names and synonyms

13 names · show all

1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1)
1H-Imidazolium, 1-butyl-3-methyl-, chloride
1-Methyl-3-butylimidazolium chloride
3-Butyl-1-methylimidazolium chloride
1-n-Butyl-3-methylimidazolium chloride
1-Butyl-3-methyl-1H-imidazolium chloride
[BMIM]Cl
N-Butyl-N′-methylimidazolium chloride
1-Butyl-3-methylimidizolium chloride
LM 1039
Basionics ST 70
[C4Mim]cl
[C4Mim+][cl-]

Work with 1-Butyl-3-methylimidazolium chloride

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-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-587 % similar 1-Decyl-3-methylimidazolium chloride171058-18-787 % similar 1-Octyl-3-methylimidazolium chloride64697-40-187 % similar 1-Butyl-3-methylimidazolium bromide85100-77-281 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-574 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-674 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-971 % similar 1-Butyl-3-methylimidazolium thiocyanate344790-87-068 % similar

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

Elsewhere

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