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Tetramethylammonium Nitrate
CAS: 1941-24-8 | C4H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1941-24-8
Molecular Formula:
C4H12N2O3
Molecular Mass:
136.15 g/mol
Names and Synonyms:
Tetramethylammonium Nitrate
Methanaminium, N,N,N-trimethyl-, nitrate (1:1)
Ammonium, tetramethyl-, nitrate
Methanaminium, N,N,N-trimethyl-, nitrate
Tetramethylammonium nitrate
Identifiers:
SMILES:
C[N+](C)(C)C.O=[N+]([O-])[O-]
InChI:
InChI=1S/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1
Key Properties
Melting Point
410 °C @ Solvent: Water
CAS Common Chemistry
Density
0.70 g/cm³
CAS Common Chemistry
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 | 136.15 g/mol | CAS Common Chemistry |
| 136.15099999999998 g/mol | RDKit | |
| 136.084792244 g/mol | RDKit | |
| Density | 0.70 g/cm³ | CAS Common Chemistry |
| 0.70 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=N(=O)[O-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=QGPVYHSXZFOSRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 410 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Tetramethylammonium nitrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.2 Ų | RDKit |
| LogP | 0.08330000000000037 | RDKit |
| Molar Refractivity | 34.3178 | RDKit |
