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Octyldecyldimethylammonium Chloride
CAS: 32426-11-2 | C20H44ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32426-11-2
Molecular Formula:
C20H44ClN
Molecular Mass:
334.03 g/mol
Names and Synonyms:
Octyldecyldimethylammonium Chloride
1-Decanaminium, N,N-dimethyl-N-octyl-, chloride (1:1)
Ammonium, decyldimethyloctyl-, chloride
1-Decanaminium, N,N-dimethyl-N-octyl-, chloride
Decyldimethyloctylammonium chloride
Octyldecyldimethylammonium chloride
Bardac 2050
Quaternium 24
Decyloctyldimethylammonium chloride
BTC 818
N-Octyl-N-decyl-N-dimethyl-ammonium chloride
Identifiers:
SMILES:
CCCCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
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
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 | 334.03 g/mol | CAS Common Chemistry |
| 334.03200000000004 g/mol | RDKit | |
| 333.31622808799995 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 97.8284000000001 | RDKit |
