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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 Weight:
109.6 g/mol
Names and Synonyms:
Tetramethylammonium Chloride
TMAC 100
Tetramine
Tetramine chloride
Methanaminium, N,N,N-trimethyl-, chloride
Ammonium, tetramethyl-, chloride
Tetramethylammonium chloride
Methanaminium, N,N,N-trimethyl-, chloride (1:1)
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-density | 1.17 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=OKIZCWYLBDKLSU-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 368-370 °C (decomp) None | Legacy Database |
| cas-name | Tetramethylammonium chloride None | Legacy Database |
| wikipedia-name | Tetramethylammonium chloride None | Legacy Database |
| LogP | -2.673599999999997 | RDKit |
| molecular_mass | 109.60 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetramethylammonium_chloride None | Legacy Database |
| cas-canonical-smile | [Cl-].C[N+](C)(C)C None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 109.6 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.06582706399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.95639999999999 | RDKit |
