Back to Search
1-Methyl-3-Propylimidazolium Iodide
CAS: 119171-18-5 | C7H13IN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119171-18-5
Molecular Formula:
C7H13IN2
Molecular Mass:
252.10 g/mol
Names and Synonyms:
1-Methyl-3-Propylimidazolium Iodide
1H-Imidazolium, 1-methyl-3-propyl-, iodide (1:1)
1H-Imidazolium, 1-methyl-3-propyl-, iodide
1-Methyl-3-propylimidazolium iodide
1-Propyl-3-methylimidazolium iodide
1-Methyl-3-n-propylimidazolium iodide
Methylpropylimidazolium iodide
MPII
MPrZ-I
3-Propyl-1-methylimidazolium iodide
PMII
3-Methyl-1-propylimidazolium iodide
1-Methyl-3-propyl-1H-imidazolium iodide
1-Methyl-3-propyl-1H-imidazol-3-ium iodide
3-Methyl-1-propyl-1H-imidazol-3-ium iodide
1-Propyl-3-methyl-1H-imidazol-3-ium iodide
Identifiers:
SMILES:
CCCn1cc[n+](C)c1.[I-]
InChI:
InChI=1S/C7H13N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
Key Properties
Melting Point
17.0 °C
CAS Common Chemistry
Density
1.49 g/cm³
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.10 g/mol | CAS Common Chemistry |
| 252.09899999999996 g/mol | RDKit | |
| 252.01234641599999 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 @ Temp: 85 °C | CAS Common Chemistry | |
| Canonical SMILES | [I-].C1=C[N+](=CN1C)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H13N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=IVCMUVGRRDWTDK-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 17.0 °C | CAS Common Chemistry |
| Name | 1-Methyl-3-propylimidazolium iodide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 8.809999999999999 Ų | RDKit |
| LogP | -2.273399999999997 | RDKit |
| Molar Refractivity | 35.898999999999994 | RDKit |
