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1-Ethyl-3-Methylimidazolium Chloride
CAS: 65039-09-0 | C6H11ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65039-09-0
Molecular Formula:
C6H11ClN2
Molecular Weight:
146.62099999999998 g/mol
Names and Synonyms:
1-Ethyl-3-Methylimidazolium Chloride
1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1)
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
1-Methyl-3-ethylimidazolium chloride
1-Ethyl-3-methylimidazolium chloride
3-Ethyl-1-methylimidazolium chloride
1-Methyl-3-ethylimidazolinium chloride
1-Ethyl-3-methyl-1H-imidazolium chloride
N-Methyl-N′-ethylimidazolium chloride
EMZ-C 1
EMIMCl
Basionics ST 80
[C2Mim+][Cl-]
IoLiLyt 0093
1-Ethyl-3-methyl-1H-imidazol-3-ium chloride
Identifiers:
SMILES:
CCn1cc[n+](C)c1.[Cl-]
InChI:
InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-name | 1-Ethyl-3-methylimidazolium chloride None | Legacy Database |
| LogP | -2.663499999999998 | RDKit |
| molecular_mass | 146.62 g/mol | Legacy Database |
| density | 1.44 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Ethyl-3-methylimidazolium_chloride None | Legacy Database |
| cas-canonical-smile | [Cl-].C1=C[N+](=CN1C)CC None | Legacy Database |
| cas-density | 1.435 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=BMQZYMYBQZGEEY-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 87 °C None | Legacy Database |
| wikipedia-name | 1-Ethyl-3-methylimidazolium chloride None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.62099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.061076032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 8.809999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.281999999999986 | RDKit |
