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Molecule
Tetradecyltrimethylammonium Chloride
CAS: 4574-04-3 · C17H38ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4574-04-3
- Molecular Formula
- C17H38ClN
- Molecular Mass
- 291.95 g/mol
Identifiers
CAS Registry Number
4574-04-3
SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI Key
CEYYIKYYFSTQRU-UHFFFAOYSA-M
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
Names and Synonyms
- Tetradecyltrimethylammonium Chloride Common Name
- 1-Tetradecanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
- Ammonium, trimethyltetradecyl-, chloride Synonym
- 1-Tetradecanaminium, N,N,N-trimethyl-, chloride Synonym
- Trimethyltetradecylammonium chloride Synonym
- Tetradecyltrimethylammonium chloride Synonym
- Myristyltrimethylammonium chloride Synonym
- Trimethylmyristylammonium chloride Synonym
- MTAC Synonym
- TTAC Synonym
- FSM 24 Synonym
- N-Cetyl-N,N,N-trimethylammonium chloride Synonym
- C 14TAC Synonym
- C14TAC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.95 g/mol | CAS Common Chemistry |
| 291.9509999999999 g/mol | RDKit | |
| 291.951 g/mol | RDKit | |
| 291.948 g/mol | chempirical lib | |
| 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 |
| 2.3977 | RDKit | |
| Molar Refractivity | 83.97740000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 291.269277896 g/mol | RDKit |
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 |
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200 ppm
180
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| 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.
External Resources
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MW = 291.95 g/mol. Edit any field — others recompute live.
