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Molecule
Octyldecyldimethylammonium Chloride
CAS: 32426-11-2 · C20H44ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32426-11-2
- Molecular Formula
- C20H44ClN
- Molecular Mass
- 334.03 g/mol
Identifiers
CAS Registry Number
32426-11-2
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
InChI Key
SCXCDVTWABNWLW-UHFFFAOYSA-M
InChI
InChI=1S/C20H44N.ClH/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Octyldecyldimethylammonium Chloride Common Name
- 1-Decanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) Synonym
- Ammonium, decyldimethyloctyl-, chloride Synonym
- 1-Decanaminium, N,N-dimethyl-N-octyl-, chloride Synonym
- Decyldimethyloctylammonium chloride Synonym
- Octyldecyldimethylammonium chloride Synonym
- Bardac 2050 Synonym
- Quaternium 24 Synonym
- Decyloctyldimethylammonium chloride Synonym
- BTC 818 Synonym
- N-Octyl-N-decyl-N-dimethyl-ammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.03 g/mol | CAS Common Chemistry |
| 334.03200000000004 g/mol | RDKit | |
| 334.032 g/mol | RDKit | |
| 334.029 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H44N.ClH/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=SCXCDVTWABNWLW-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Octyldecyldimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.5680000000000023 | RDKit |
| 3.568 | RDKit | |
| Molar Refractivity | 97.8284000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 333.31622808799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 334.03 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H44ClN.
