HuagongsheHuagongshe Chemistry Print Report · For research reference only
Lavanducyanin
X=H · WS-9659A · YP-02978L-C · lavanducyanin · Lavanducyanin (21) · 5-[(2,4,4-Trimethyl-1-cyclohexen-1-yl)methyl]phenazin-1(5H)-one
Identifiers & Physical Properties
| CAS No. | 122228-60-8 |
|---|---|
| Molecular formula | C22H24N2O |
| Average molar mass | 332.4 g/mol |
| Monoisotopic mass | 332.18886339 g/mol |
| SMILES | CC1=C(Cn2c3cccc(=O)c-3nc3ccccc32)CCC(C)(C)C1 |
| InChIKey | AMQJGKJHNQVSQU-UHFFFAOYSA-N |
| PubChem CID | 129607 |
| ChEBI | CHEBI:221771 |
| DTXSID | DTXSID40153549 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 32.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 708 |
| FDA UNII | LG9Y6UJ2UN |