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Molecule
Tetramethylammonium Nitrate
CAS: 1941-24-8 · C4H12N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1941-24-8
- Molecular Formula
- C4H12N2O3
- Molecular Mass
- 136.15 g/mol
Identifiers
CAS Registry Number
1941-24-8
SMILES
C[N+](C)(C)C.O=[N+]([O-])[O-]
InChI Key
QGPVYHSXZFOSRL-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1
Names and Synonyms
- Tetramethylammonium Nitrate Common Name
- Methanaminium, N,N,N-trimethyl-, nitrate (1:1) Synonym
- Ammonium, tetramethyl-, nitrate Synonym
- Methanaminium, N,N,N-trimethyl-, nitrate Synonym
- Tetramethylammonium nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.15099999999998 g/mol | RDKit | |
| 136.151 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 |
| 0.0833 | RDKit | |
| Molar Refractivity | 34.3178 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.084792244 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 = 136.15 g/mol; density = 0.700 g/mL. Edit any field — others recompute live.
