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Tetradecyltrimethylammonium Chloride
CAS: 4574-04-3 | C17H38ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4574-04-3
Molecular Formula:
C17H38ClN
Molecular Mass:
291.95 g/mol
Names and Synonyms:
Tetradecyltrimethylammonium Chloride
1-Tetradecanaminium, N,N,N-trimethyl-, chloride (1:1)
Ammonium, trimethyltetradecyl-, chloride
1-Tetradecanaminium, N,N,N-trimethyl-, chloride
Trimethyltetradecylammonium chloride
Tetradecyltrimethylammonium chloride
Myristyltrimethylammonium chloride
Trimethylmyristylammonium chloride
MTAC
TTAC
FSM 24
N-Cetyl-N,N,N-trimethylammonium chloride
C 14TAC
C14TAC
Identifiers:
SMILES:
CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.95 g/mol | CAS Common Chemistry |
| 291.9509999999999 g/mol | RDKit | |
| 291.269277896 g/mol | RDKit | |
| Canonical SMILES | [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=CEYYIKYYFSTQRU-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Tetradecyltrimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3977000000000004 | RDKit |
| Molar Refractivity | 83.97740000000007 | RDKit |
