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Molecule
Ethanaminium, N,N-Diethyl-N-Methyl-, Tetrafluoroborate(1-) (1:1)
CAS: 69444-47-9 · C7H18BF4N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69444-47-9
- Molecular Formula
- C7H18BF4N
- Molecular Mass
- 203.03199999999998 g/mol
Identifiers
CAS Registry Number
69444-47-9
SMILES
CC[N+](C)(CC)CC.F[B-](F)(F)F
InChI Key
OHZMHURLSZDGTO-UHFFFAOYSA-N
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
Names and Synonyms
- Ethanaminium, N,N-Diethyl-N-Methyl-, Tetrafluoroborate(1-) (1:1) Systematic Name
- Ethanaminium, N,N-diethyl-N-methyl-, tetrafluoroborate(1-) (1:1) Synonym
- Ethanaminium, N,N-diethyl-N-methyl-, tetrafluoroborate(1-) Synonym
- Borate(1-), tetrafluoro-, N,N-diethyl-N-methylethanaminium Synonym
- Triethylmethylammonium tetrafluoroborate Synonym
- Methyltriethylammonium tetrafluoroborate Synonym
- Lipaste P/TEMAF 14N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 203.03199999999998 g/mol | RDKit |
| 203.14684285599998 g/mol | RDKit | |
| 203.032 g/mol | RDKit | |
| 203.03 g/mol | chempirical lib | |
| 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 |
| 2.7927 | RDKit | |
| Molar Refractivity | 47.99340000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 203.03 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 203.03 g/mol. Edit any field — others recompute live.
