ZXI
Summary
| Name: | 1-(4-iodophenyl)methanamine |
| Synonyms: | 4-Iodobenzylamine |
| Formula: | C7 H8 I N |
| Formal charge: | 0 |
| Formula weight: | 233.05 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-iodophenyl)methanamine |
| OpenEye OEToolkits | 2.0.6 | (4-iodophenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(cc1)I)N |
| InChI | InChI | 1.03 | InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | InChI | 1.03 | KCGZGJOBKAXVSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(I)cc1 |
| SMILES | CACTVS | 3.385 | NCc1ccc(I)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN)I |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CN)I |
