1XN
Summary
| Name: | 2H-isoindole-1,3-diamine |
| Formula: | C8 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 147.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2H-isoindole-1,3-diamine |
| OpenEye OEToolkits | 1.7.6 | 2H-isoindole-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc2c1c(N)nc2N |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,11H,9-10H2 |
| InChIKey | InChI | 1.03 | DPDSFQSSCBFWBA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]c(N)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Nc1[nH]c(N)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c([nH]c2N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c([nH]c2N)N |
