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Tetramethylammonium Chloride
CAS: 75-57-0 | C4H12ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-57-0
Molecular Formula:
C4H12ClN
Molecular Mass:
109.60 g/mol
Names and Synonyms:
Tetramethylammonium Chloride
Methanaminium, N,N,N-trimethyl-, chloride (1:1)
Tetramethylammonium chloride
Ammonium, tetramethyl-, chloride
Methanaminium, N,N,N-trimethyl-, chloride
Tetramine chloride
Tetramine
TMAC 100
Identifiers:
SMILES:
C[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
Key Properties
Melting Point
368-370 °C (decomp)
CAS Common Chemistry
Density
1.17 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 | 109.60 g/mol | CAS Common Chemistry |
| 109.6 g/mol | RDKit | |
| 109.06582706399999 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethylammonium_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=OKIZCWYLBDKLSU-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 368-370 °C (decomp) | CAS Common Chemistry |
| Name | Tetramethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.673599999999997 | RDKit |
| Molar Refractivity | 23.95639999999999 | RDKit |
