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Molecule
Triethylmethylammonium Chloride
CAS: 10052-47-8 · C7H18ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10052-47-8
- Molecular Formula
- C7H18ClN
- Molecular Mass
- 151.68 g/mol
Identifiers
CAS Registry Number
10052-47-8
SMILES
CC[N+](C)(CC)CC.[Cl-]
InChI Key
NIUZJTWSUGSWJI-UHFFFAOYSA-M
InChI
InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Triethylmethylammonium Chloride Common Name
- Ethanaminium, N,N-diethyl-N-methyl-, chloride (1:1) Synonym
- Ammonium, triethylmethyl-, chloride Synonym
- Ethanaminium, N,N-diethyl-N-methyl-, chloride Synonym
- Triethylmethylammonium chloride Synonym
- Methyltriethylammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.68 g/mol | CAS Common Chemistry |
| 151.68099999999998 g/mol | RDKit | |
| 151.681 g/mol | RDKit | |
| 151.678 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].CC[N+](C)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NIUZJTWSUGSWJI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 284 °C (decomp) | CAS Common Chemistry |
| Name | Triethylmethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | -1.503299999999997 | RDKit |
| -1.5033 | RDKit | |
| Molar Refractivity | 37.807399999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.112777256 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 = 151.68 g/mol. Edit any field — others recompute live.
