AP
Summary
| Name: | N-1-AMINOPYRENE |
| Formula: | C16 H11 N |
| Formal charge: | 0 |
| Formula weight: | 217.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyren-1-amine |
| OpenEye OEToolkits | 1.5.0 | pyren-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | c4cc2ccc1ccc(N)c3c1c2c(cc3)c4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES | CACTVS | 3.341 | Nc1ccc2ccc3cccc4ccc1c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2ccc3ccc(c4c3c2c(c1)cc4)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2ccc3ccc(c4c3c2c(c1)cc4)N |
| InChI | InChI | 1.03 | InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2 |
| InChIKey | InChI | 1.03 | YZVWKHVRBDQPMQ-UHFFFAOYSA-N |
