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Tetramethylammonium Bromide
CAS: 64-20-0 | C4H12BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64-20-0
Molecular Formula:
C4H12BrN
Molecular Weight:
154.051 g/mol
Names and Synonyms:
Tetramethylammonium Bromide
TMAB
Methyl, (dimethylamino)-, methobromide
Methanaminium, N,N,N-trimethyl-, bromide
Ammonium, tetramethyl-, bromide
Tetramethylammonium bromide
Methanaminium, N,N,N-trimethyl-, bromide (1:1)
Identifiers:
SMILES:
C[N+](C)(C)C.[Br-]
InChI:
InChI=1S/C4H12N.BrH/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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.05 g/mol | Legacy Database |
| cas-canonical-smile | [Br-].C[N+](C)(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 | Legacy Database | |
| cas-inchi-key | InChIKey=DDFYFBUWEBINLX-UHFFFAOYSA-M | Legacy Database | |
| cas-melting-point | 230 °C (decomp) | Legacy Database | |
| cas-name | Tetramethylammonium bromide | Legacy Database | |
| LogP | -2.673599999999997 | RDKit | |
| Molecular | Molecular Weight | 154.051 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.015311484 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 23.95639999999999 | RDKit |
