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Tetramethylammonium Sulfate
CAS: 14190-16-0 | C4H12NO4S-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14190-16-0
Molecular Formula:
C4H12NO4S-
Molecular Mass:
170.21 g/mol
Names and Synonyms:
Tetramethylammonium Sulfate
Methanaminium, N,N,N-trimethyl-, sulfate (2:1)
Ammonium, tetramethyl-, sulfate (2:1)
Bis(tetramethylammonium) sulfate
Tetramethylammonium sulfate
Tetramethylammonium sulfate (2:1)
Identifiers:
SMILES:
C[N+](C)(C)C.O=S(=O)([O-])[O-]
InChI:
InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-2
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 | 170.21 g/mol | CAS Common Chemistry |
| 170.20999999999998 g/mol | RDKit | |
| 170.04925244391 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)([O-])[O-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DWTYPCUOWWOADE-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Tetramethylammonium sulfate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.26 Ų | RDKit |
| LogP | -1.0155999999999994 | RDKit |
| Molar Refractivity | 34.43099999999999 | RDKit |
