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Triethylmethylammonium Chloride
CAS: 10052-47-8 | C7H18ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10052-47-8
Molecular Formula:
C7H18ClN
Molecular Weight:
151.68099999999998 g/mol
Names and Synonyms:
Triethylmethylammonium Chloride
Triethylmethylammonium chloride
Methyltriethylammonium chloride
Ethanaminium, N,N-diethyl-N-methyl-, chloride
Ammonium, triethylmethyl-, chloride
Ethanaminium, N,N-diethyl-N-methyl-, chloride (1:1)
Identifiers:
SMILES:
CC[N+](C)(CC)CC.[Cl-]
InChI:
InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.68099999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.112777256 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | -1.503299999999997 | RDKit |
| molecular_mass | 151.68 g/mol | Legacy Database | |
| cas-canonical-smile | [Cl-].CC[N+](C)(CC)CC | Legacy Database | |
| cas-inchi | InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1 | Legacy Database | |
| cas-inchi-key | InChIKey=NIUZJTWSUGSWJI-UHFFFAOYSA-M | Legacy Database | |
| cas-melting-point | 284 °C (decomp) | Legacy Database | |
| cas-name | Triethylmethylammonium chloride | Legacy Database | |
| Molar | Molar Refractivity | 37.807399999999994 | RDKit |
