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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 Weight:
348.05899999999997 g/mol
Names and Synonyms:
Stearyltrimethylammonium Chloride
Cation AB
Arquad 18-63
Lipoquad T 833
Kotamin 86P
Nikkol NET-SG 60C
Lipoquad T 800
Lipo Gard 18-63
Arcade T 800
Quaternium 1831
Cationic emulsifier 1831
Econol TMS 28
Nikkol CA 2450
Nikkol CA 2465
Catinal STC 70ET
AB 250 (surfactant)
AB 250
Quartamin P 85
Miconium STAC 65
FAC 1W
Steartrimonium chloride
Quartamin 80W
Stearimonium chloride
Catinal STC 25AQ
Genamin STAC
Genamin STACP
Catiogen TMS
Q-S-T 50
Catinal STC 80
Stearyltrimonium chloride
Catinal STC 25W
Quartamin 86
Quartamin 86P Conc
Quartamin 86W
Catinal STS 80
Dehyquart B
Varisoft TSC
Quartamin 869P
Boraquat P 30
Quartamin 86P
Lebon TM 18
Kamin RMS
Arquad 18-50
Quaternium 10
Nissan Cation AB
STAC
Stearyltrimethylammonium chloride
Trimethylstearylammonium chloride
Octadecyltrimethylammonium chloride
Arquad 18
Aliquat 7
1-Octadecanaminium, N,N,N-trimethyl-, chloride
Ammonium, trimethyloctadecyl-, chloride
Trimethyloctadecylammonium chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1)
Electrostripper QE
Nissan Cation AB 600
Cation AB 600
CA 2465
CA 2450
Arquad 18-55
Monostearyltrimethylammonium chloride
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 348.06 g/mol | Legacy Database |
| cas-canonical-smile | [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=VBIIFPGSPJYLRR-UHFFFAOYSA-M None | Legacy Database |
| cas-name | Stearyltrimethylammonium chloride None | Legacy Database |
| LogP | 3.9581000000000026 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 348.05899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 347.331878152 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 17 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 102.44540000000009 | RDKit |
