42J
Summary
| Name: | 2-(3,4-dichlorophenyl)ethanamine |
| Formula: | C8 H9 Cl2 N |
| Formal charge: | 0 |
| Formula weight: | 190.07 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3,4-dichlorophenyl)ethanamine |
| OpenEye OEToolkits | 1.9.2 | 2-(3,4-dichlorophenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CCN |
| InChI | InChI | 1.03 | InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2 |
| InChIKey | InChI | 1.03 | MQPUAVYKVIHUJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NCCc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CCN)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CCN)Cl)Cl |
