Back to Search
Molecule
Dioctyldimethylammonium Chloride
CAS: 5538-94-3 · C18H40ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5538-94-3
- Molecular Formula
- C18H40ClN
- Molecular Mass
- 305.98 g/mol
Identifiers
CAS Registry Number
5538-94-3
SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
InChI Key
FARBQUXLIQOIDY-UHFFFAOYSA-M
InChI
InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Dioctyldimethylammonium Chloride Common Name
- 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) Synonym
- KP 20 Synonym
- Ammonium, dimethyldioctyl-, chloride Synonym
- 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride Synonym
- Dimethyldioctylammonium chloride Synonym
- RC 5626 Synonym
- Dioctyldimethylammonium chloride Synonym
- Bardac LF Synonym
- HOE-S 2617 Synonym
- Dodigen 2617 Synonym
- Swanol CA 3080 Synonym
- Querton 28CL Synonym
- Pentonium DO 50 Synonym
- Querton 28CL50 Synonym
- Bardac LF 80 Synonym
- LF 80 Synonym
- AQ 208 Synonym
- Bardac LF 18 Synonym
- KP 20 (quaternary compound) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.98 g/mol | CAS Common Chemistry |
| 305.97799999999995 g/mol | RDKit | |
| 305.978 g/mol | RDKit | |
| 305.975 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].CCCCCCCC[N+](C)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FARBQUXLIQOIDY-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | Dioctyldimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.7878000000000016 | RDKit |
| 2.7878 | RDKit | |
| Molar Refractivity | 88.59440000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 305.28492795999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 305.98 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H40ClN.
