1. Primary Information
| English name: | Cetrimonium Bromide |
| CAS No.: | 57-09-0 |
| Molecular formula: | C19H42BRN |
| Molecular weight: | 364.4 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] |
| Structural class: | |
| Other identifiers: |
1-hexadecyltrimethylammonium chloride Cetavlon cetrimide cetriminium cetrimonium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | AR，99% | 48 | RT | in stock | - |
| Kehua Intelligence | 500g | AR，99% | 158 | RT | in stock | - |
| Kehua Intelligence | 5*500g | AR，99% | 720 | RT | in stock | - |
| Kehua Intelligence | 100g | 用于离子对色谱,≥99.0% | 144 | RT | in stock | - |
| Kehua Intelligence | 500g | 用于离子对色谱,≥99.0% | 432 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
hexadecyl(trimethyl)azanium;bromide
4.2 InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
4.3 InChIKey
LZZYPRNAOMGNLH-UHFFFAOYSA-M
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC[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 --
