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Molecule
Tetramethylammonium Bromide
CAS: 64-20-0 · C4H12BrN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64-20-0
- Molecular Formula
- C4H12BrN
- Molecular Mass
- 154.05 g/mol
Identifiers
CAS Registry Number
64-20-0
SMILES
C[N+](C)(C)C.[Br-]
InChI Key
DDFYFBUWEBINLX-UHFFFAOYSA-M
InChI
InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
Names and Synonyms
- Tetramethylammonium Bromide Common Name
- Methanaminium, N,N,N-trimethyl-, bromide (1:1) Synonym
- Tetramethylammonium bromide Synonym
- Ammonium, tetramethyl-, bromide Synonym
- Methanaminium, N,N,N-trimethyl-, bromide Synonym
- Methyl, (dimethylamino)-, methobromide Synonym
- TMAB Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.05 g/mol | CAS Common Chemistry |
| 154.051 g/mol | RDKit | |
| Canonical SMILES | [Br-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DDFYFBUWEBINLX-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 230 °C (decomp) | CAS Common Chemistry |
| Name | Tetramethylammonium bromide | 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 |
| -2.6736 | RDKit | |
| Molar Refractivity | 23.95639999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 153.015311484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 154.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12BrN.
