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Molecule
Tetramethylammonium Sulfate
CAS: 14190-16-0 · C4H12NO4S-
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14190-16-0
- Molecular Formula
- C4H12NO4S-
- Molecular Mass
- 170.21 g/mol
Identifiers
CAS Registry Number
14190-16-0
SMILES
C[N+](C)(C)C.O=S(=O)([O-])[O-]
InChI Key
DWTYPCUOWWOADE-UHFFFAOYSA-L
InChI
InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-2
Names and Synonyms
- Tetramethylammonium Sulfate Common Name
- Methanaminium, N,N,N-trimethyl-, sulfate (2:1) Synonym
- Ammonium, tetramethyl-, sulfate (2:1) Synonym
- Bis(tetramethylammonium) sulfate Synonym
- Tetramethylammonium sulfate Synonym
- Tetramethylammonium sulfate (2:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.21 g/mol | CAS Common Chemistry |
| 170.20999999999998 g/mol | RDKit | |
| 170.203 g/mol | chempirical lib | |
| 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 |
| -1.0156 | RDKit | |
| Molar Refractivity | 34.43099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -1 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.04925244391 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 170.21 g/mol. Edit any field — others recompute live.
