HuagongsheHuagongshe Chemistry Print Report · For research reference only
9-Ethyl-2-(2-phenylethynyl)-9H-purin-6-amine
Identifiers & Physical Properties
| CAS No. | 224638-69-1 |
|---|---|
| Molecular formula | C15H13N5 |
| Average molar mass | 263.3 g/mol |
| Monoisotopic mass | 263.11709544 g/mol |
| SMILES | CCn1cnc2c(N)nc(C#Cc3ccccc3)nc21 |
| InChIKey | RWIYSUMXHARWET-UHFFFAOYSA-N |
| PubChem CID | 10061301 |
| DTXSID | DTXSID101257130 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 69.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 392 |