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Molecule
Tetradecylpyridinium Chloride
CAS: 2785-54-8 · C19H34ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2785-54-8
- Molecular Formula
- C19H34ClN
- Molecular Mass
- 311.94 g/mol
Identifiers
CAS Registry Number
2785-54-8
SMILES
CCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
InChI Key
YFVBASFBIJFBAI-UHFFFAOYSA-M
InChI
InChI=1S/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1
Names and Synonyms
- Tetradecylpyridinium Chloride Common Name
- Pyridinium, 1-tetradecyl-, chloride (1:1) Synonym
- Pyridinium, 1-tetradecyl-, chloride Synonym
- 1-Tetradecylpyridinium chloride Synonym
- Tetradecylpyridinium chloride Synonym
- Myristylpyridinium chloride Synonym
- N-Tetradecylpyridinium chloride Synonym
- 1-n-Tetradecanepyridinium chloride Synonym
- TPC Synonym
- TPC (onium compound) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 311.94 g/mol | CAS Common Chemistry |
| 311.9409999999999 g/mol | RDKit | |
| 311.941 g/mol | RDKit | |
| 311.938 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].C=1C=C[N+](=CC1)CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=YFVBASFBIJFBAI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | Tetradecylpyridinium chloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.88 Ų | RDKit |
| LogP | 2.6792 | RDKit |
| Molar Refractivity | 87.71500000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7368 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 311.23797776799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
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MW = 311.94 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H34ClN.
