SZ9
Summary
| Name: | 1-(2,5-dimethylfuran-3-yl)methanamine |
| Formula: | C7 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 125.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,5-dimethylfuran-3-yl)methanamine |
| OpenEye OEToolkits | 1.7.2 | (2,5-dimethylfuran-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | o1c(cc(c1C)CN)C |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | AGQXLVABIKZJJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1oc(C)c(CN)c1 |
| SMILES | CACTVS | 3.370 | Cc1oc(C)c(CN)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(o1)C)CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc(c(o1)C)CN |
