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Ethanaminium, N,N-Diethyl-N-Methyl-, Tetrafluoroborate(1-) (1:1)
CAS: 69444-47-9 | C7H18BF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69444-47-9
Molecular Formula:
C7H18BF4N
Molecular Mass:
203.03 g/mol
Names and Synonyms:
Ethanaminium, N,N-Diethyl-N-Methyl-, Tetrafluoroborate(1-) (1:1)
Ethanaminium, N,N-diethyl-N-methyl-, tetrafluoroborate(1-) (1:1)
Ethanaminium, N,N-diethyl-N-methyl-, tetrafluoroborate(1-)
Borate(1-), tetrafluoro-, N,N-diethyl-N-methylethanaminium
Triethylmethylammonium tetrafluoroborate
Methyltriethylammonium tetrafluoroborate
Lipaste P/TEMAF 14N
Identifiers:
SMILES:
CC[N+](C)(CC)CC.F[B-](F)(F)F
InChI:
InChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
Key Properties
Melting Point
336 °C @ Solvent: Ethanol
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 | 203.03 g/mol | CAS Common Chemistry |
| 203.03199999999998 g/mol | RDKit | |
| 203.14684285599998 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].CC[N+](C)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=OHZMHURLSZDGTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 336 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Ethanaminium, N,N-diethyl-N-methyl-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.792700000000001 | RDKit |
| Molar Refractivity | 47.99340000000003 | RDKit |
