Base information
| Cat. No. | |
| CAS No. | 54-77-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H19IN2 |
| Molecular Weight | 318.197 |
| Exact Mass | 318.059 |
| XLogP3 | -1.3892 |
| Mr | 82.586 |
| PSA | 3.24 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C[N+]1(C)CCN(CC1)c1ccccc1.[I-] |
