1. Primary Information
| English name: | Cetaben |
| CAS No.: | 55986-43-1 |
| Molecular formula: | C23H39NO2 |
| Molecular weight: | 361.6 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O |
| Structural class: | |
| Other identifiers: |
4-(hexadecylamino)benzoic acid 4-(hexadecylamino)benzoic acid, monosodum salt Benzoic acid, 4-(hexadecylamino)-, monosodium salt cetaben cetaben, monosodium salt |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 1040 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 99% | 1600 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 99% | 3040 | -20°C | in stock | - |
| Kehua Intelligence | 100mg | 99% | 6720 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-(hexadecylamino)benzoic acid
4.2 InChI
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)
4.3 InChIKey
QXWKHSSBFQDQPR-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
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 --
