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Molecule
Ethanaminium, N,N,N-Triethyl-, Nitrate (1:1)
CAS: 1941-26-0 · C8H20N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1941-26-0
- Molecular Formula
- C8H20N2O3
- Molecular Mass
- 192.26 g/mol
Identifiers
CAS Registry Number
1941-26-0
SMILES
CC[N+](CC)(CC)CC.O=[N+]([O-])[O-]
InChI Key
JTJKNAJRGLQKDZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N.NO3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;/q+1;-1
Names and Synonyms
- Ethanaminium, N,N,N-Triethyl-, Nitrate (1:1) Systematic Name
- Ethanaminium, N,N,N-triethyl-, nitrate (1:1) Synonym
- Ammonium, tetraethyl-, nitrate Synonym
- Ethanaminium, N,N,N-triethyl-, nitrate Synonym
- Tetraethylammonium nitrate Synonym
- NSC 152114 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.26 g/mol | CAS Common Chemistry |
| 192.259 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)[O-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.NO3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=JTJKNAJRGLQKDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 280 °C (decomp) | CAS Common Chemistry |
| Name | Ethanaminium, N,N,N-triethyl-, nitrate (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.2 Ų | RDKit |
| LogP | 1.6436999999999997 | RDKit |
| 1.6437 | RDKit | |
| 1.78 | chempirical lib | |
| Molar Refractivity | 52.785800000000044 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 192.1473925 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 = 192.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2O3.
