WHY
Summary
| Name: | 4-[(dimethylamino)methyl]benzonitrile |
| Formula: | C10 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 160.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(dimethylamino)methyl]benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 4-[(dimethylamino)methyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(CN(C)C)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | QCSOEUMGZOKXPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)C#N |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(cc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)C#N |
