1. Primary Information
| English name: | Dotap chloride |
| CAS No.: | 132172-61-3 |
| Molecular formula: | C42H80ClNO4 |
| Molecular weight: | 698.5 g/mol |
| SMILES: | CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-] |
| Structural class: | |
| Other identifiers: |
1,2-dioleoyl-3-trimethylammoniumpropane 1,2-dioleoyl-3-trimethylpropanammonium 1,2-dioleoyloxy-3-(trimethylammonium)propane 1,2-DOTAP DOTAP |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | 98% | 600 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 2400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;chloride
4.2 InChI
InChI=1S/C42H80NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,40H,6-19,24-39H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;
4.3 InChIKey
KSXTUUUQYQYKCR-LQDDAWAPSA-M
4.4 Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]
4.5 Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Cl-]
