Base information
| Cat. No. | |
| CAS No. | 119171-18-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H13IN2 |
| Molecular Weight | 252.096 |
| Exact Mass | 252.012 |
| XLogP3 | -2.2734 |
| Mr | 52.919 |
| PSA | 8.81 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCC[n+]1ccn(c1)C.[I-] |
