| CAS Number | 866602-52-0 |
| Catalog Number | AG01E5K7(AGN-PC-0V7NV5) |
| Chemical Name | Dodeca-2E,4E,8Z-Tetraenoic Acid Isobutylamide (10E/Z Mixture) |
| IUPAC Name | (2E,4E,8Z,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide;(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide |
| InChI | InChI=1S/2C16H25NO/c2*1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h2*4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+;5-4-,7-6-,11-10+,13-12+ |
| InChI Key | HWNSIBHUGIVNCH-WNBJYMDISA-N |
| Molecular Formula | C16H25NO |
| Molecular Weight | 247.3758 |
| SMILES | O=C(/C=C/C=C/CC/C=CC=CC)NCC(C)C |
| Synonyms | |
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 8 |
| Exact Mass | 494.387g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.764g/mol |
| Monoisotopic Mass | 494.387g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number