HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-tert-Butyl-3,4-dihydroisoquinoline-7-carbaldehyde
Identifiers & Physical Properties
| CAS No. | 823236-20-0 |
|---|---|
| Molecular formula | C14H17NO |
| Average molar mass | 215.29 g/mol |
| Monoisotopic mass | 215.13101417 g/mol |
| SMILES | CC(C)(C)C1=NCCc2ccc(C=O)cc21 |
| InChIKey | GPMMOBKDDVPMEH-UHFFFAOYSA-N |
| PubChem CID | 71419082 |
| DTXSID | DTXSID40838349 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 29.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 300 |