1. Primary Information
| English name: | Trimethyloctadecylammonium bromide |
| CAS No.: | 1120-02-1 |
| Molecular formula: | C21H46BRN |
| Molecular weight: | 392.5 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] |
| Structural class: | |
| Other identifiers: |
octadecyltrimethylammonium bromide ODTEA Br cpd |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | 超纯，99% | 32 | RT | in stock | - |
| Kehua Intelligence | 100g | 超纯，99% | 64 | RT | in stock | - |
| Kehua Intelligence | 500g | 超纯，99% | 152 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
trimethyl(octadecyl)azanium;bromide
4.2 InChI
InChI=1S/C21H46N.BrH/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
4.3 InChIKey
SZEMGTQCPRNXEG-UHFFFAOYSA-M
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
