00T
Summary
| Name: | (4-chlorobenzene-1,2-diyl)dimethanamine |
| Formula: | C8 H11 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 170.639 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-chlorobenzene-1,2-diyl)dimethanamine |
| OpenEye OEToolkits | 1.7.0 | [2-(aminomethyl)-5-chloro-phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(cc1)CN)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1ccc(Cl)cc1CN |
| SMILES | CACTVS | 3.370 | NCc1ccc(Cl)cc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)CN |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H11ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2 |
| InChIKey | InChI | 1.03 | OPYZUJUKJWFWGF-UHFFFAOYSA-N |
