4AS
Summary
| Name: | N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine |
| Formula: | C6 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 125.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-(1-methyl-1H-imidazol-2-yl)methanamine |
| OpenEye OEToolkits | 1.9.2 | N-methyl-1-(1-methylimidazol-2-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccn(c1CNC)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3/c1-7-5-6-8-3-4-9(6)2/h3-4,7H,5H2,1-2H3 |
| InChIKey | InChI | 1.03 | YFSZWZHEKIMAJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1nccn1C |
| SMILES | CACTVS | 3.385 | CNCc1nccn1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNCc1nccn1C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNCc1nccn1C |
