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Molecule
Tetraethylammonium Iodide
CAS: 68-05-3 · C8H20IN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 68-05-3
- Molecular Formula
- C8H20IN
- Molecular Mass
- 257.16 g/mol
Identifiers
CAS Registry Number
68-05-3
SMILES
CC[N+](CC)(CC)CC.[I-]
InChI Key
UQFSVBXCNGCBBW-UHFFFAOYSA-M
InChI
InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Tetraethylammonium Iodide Synonym
- Ethanaminium, N,N,N-triethyl-, iodide (1:1) Synonym
- Tetraethylammonium iodide Synonym
- Ammonium, tetraethyl-, iodide Synonym
- Ethanaminium, N,N,N-triethyl-, iodide Synonym
- Tetamon iodide Synonym
- Tetramon J Synonym
- TEA Synonym
- TEA iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.16 g/mol | CAS Common Chemistry |
| 257.159 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethylammonium_iodide | CAS Common Chemistry |
| Canonical SMILES | [I-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=UQFSVBXCNGCBBW-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 300 °C | CAS Common Chemistry |
| Name | Tetraethylammonium iodide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.1131999999999973 | RDKit |
| -1.1132 | RDKit | |
| Molar Refractivity | 42.424400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 257.06404764 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 257.16 g/mol. Edit any field — others recompute live.
