1SQ
Summary
| Name: | ISOQUINOLIN-1-AMINE |
| Synonyms: | 1-AMINO-ISOQUINOLINE |
| Formula: | C9 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 144.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | isoquinolin-1-amine |
| OpenEye OEToolkits | 1.5.0 | isoquinolin-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2c(cc1)cccc2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nccc2ccccc12 |
| SMILES | CACTVS | 3.341 | Nc1nccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ccnc2N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ccnc2N |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) |
| InChIKey | InChI | 1.03 | OSILBMSORKFRTB-UHFFFAOYSA-N |
