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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
Names and Synonyms:
Stearyltrimethylammonium Chloride
Monostearyltrimethylammonium chloride
Arquad 18-55
CA 2450
CA 2465
Cation AB 600
Nissan Cation AB 600
Arquad 18-63
Electrostripper QE
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1)
Trimethyloctadecylammonium chloride
Ammonium, trimethyloctadecyl-, chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride
Aliquat 7
Arquad 18
Octadecyltrimethylammonium chloride
Trimethylstearylammonium chloride
Stearyltrimethylammonium chloride
STAC
Nissan Cation AB
Quaternium 10
Cation AB
Arquad 18-50
Kamin RMS
Lebon TM 18
Quartamin 86P
Boraquat P 30
Quartamin 869P
Varisoft TSC
Dehyquart B
Catinal STS 80
Quartamin 86W
Quartamin 86P Conc
Quartamin 86
Catinal STC 25W
Stearyltrimonium chloride
Catinal STC 80
Q-S-T 50
Catiogen TMS
Genamin STACP
Genamin STAC
Catinal STC 25AQ
Stearimonium chloride
Quartamin 80W
Steartrimonium chloride
FAC 1W
Miconium STAC 65
Quartamin P 85
AB 250
AB 250 (surfactant)
Catinal STC 70ET
Nikkol CA 2465
Nikkol CA 2450
Econol TMS 28
Cationic emulsifier 1831
Quaternium 1831
Arcade T 800
Lipo Gard 18-63
Lipoquad T 800
Nikkol NET-SG 60C
Kotamin 86P
Lipoquad T 833
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
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
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 | 348.06 g/mol | CAS Common Chemistry |
| 348.05899999999997 g/mol | RDKit | |
| 347.331878152 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 102.44540000000009 | RDKit |
