A1CDZ
Summary
| Name: | 4-[2-(methylamino)ethyl]benzonitrile |
| Formula: | C10 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 160.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[2-(methylamino)ethyl]benzonitrile |
| OpenEye OEToolkits | 3.1.0.0 | 4-[2-(methylamino)ethyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#Cc1ccc(CCNC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3 |
| InChIKey | InChI | 1.06 | HVQQKHKVUWPZKL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCCc1ccc(cc1)C#N |
| SMILES | CACTVS | 3.385 | CNCCc1ccc(cc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNCCc1ccc(cc1)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNCCc1ccc(cc1)C#N |
