BPW
Summary
| Name: | 3-(4-chlorophenyl)propan-1-amine |
| Formula: | C9 H12 Cl N |
| Formal charge: | 0 |
| Formula weight: | 169.651 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-chlorophenyl)propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2 |
| InChIKey | InChI | 1.03 | RVLNDSYSQLMPRC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | NCCCc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCCN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CCCN)Cl |
