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Stearyltrimethylammonium Chloride
CAS: 112-03-8 | C21H46ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-03-8
- Molecular Formula
- C21H46ClN
- Molecular Mass
- 348.06 g/mol
Identifiers
CAS Registry Number
112-03-8
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI Key
VBIIFPGSPJYLRR-UHFFFAOYSA-M
InChI
InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Stearyltrimethylammonium Chloride Common Name
- Monostearyltrimethylammonium chloride Synonym
- Arquad 18-55 Synonym
- CA 2450 Synonym
- CA 2465 Synonym
- Cation AB 600 Synonym
- Nissan Cation AB 600 Synonym
- Arquad 18-63 Synonym
- Electrostripper QE Synonym
- 1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) Synonym
- Trimethyloctadecylammonium chloride Synonym
- Ammonium, trimethyloctadecyl-, chloride Synonym
- 1-Octadecanaminium, N,N,N-trimethyl-, chloride Synonym
- Aliquat 7 Synonym
- Arquad 18 Synonym
- Octadecyltrimethylammonium chloride Synonym
- Trimethylstearylammonium chloride Synonym
- Stearyltrimethylammonium chloride Synonym
- STAC Synonym
- Nissan Cation AB Synonym
- Quaternium 10 Synonym
- Cation AB Synonym
- Arquad 18-50 Synonym
- Kamin RMS Synonym
- Lebon TM 18 Synonym
- Quartamin 86P Synonym
- Boraquat P 30 Synonym
- Quartamin 869P Synonym
- Varisoft TSC Synonym
- Dehyquart B Synonym
- Catinal STS 80 Synonym
- Quartamin 86W Synonym
- Quartamin 86P Conc Synonym
- Quartamin 86 Synonym
- Catinal STC 25W Synonym
- Stearyltrimonium chloride Synonym
- Catinal STC 80 Synonym
- Q-S-T 50 Synonym
- Catiogen TMS Synonym
- Genamin STACP Synonym
- Genamin STAC Synonym
- Catinal STC 25AQ Synonym
- Stearimonium chloride Synonym
- Quartamin 80W Synonym
- Steartrimonium chloride Synonym
- FAC 1W Synonym
- Miconium STAC 65 Synonym
- Quartamin P 85 Synonym
- AB 250 Synonym
- AB 250 (surfactant) Synonym
- Catinal STC 70ET Synonym
- Nikkol CA 2465 Synonym
- Nikkol CA 2450 Synonym
- Econol TMS 28 Synonym
- Cationic emulsifier 1831 Synonym
- Quaternium 1831 Synonym
- Arcade T 800 Synonym
- Lipo Gard 18-63 Synonym
- Lipoquad T 800 Synonym
- Nikkol NET-SG 60C Synonym
- Kotamin 86P Synonym
- Lipoquad T 833 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.06 g/mol | CAS Common Chemistry |
| 348.05899999999997 g/mol | RDKit | |
| 348.059 g/mol | RDKit | |
| 348.056 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VBIIFPGSPJYLRR-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Stearyltrimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9581000000000026 | RDKit |
| 3.9581 | RDKit | |
| Molar Refractivity | 102.44540000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 347.331878152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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.
