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 |