HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(5-Amino-1-methyl-3-indolyl)ethanone
1-(5-Amino-1-methyl-1H-indol-3-yl)-ethanone · Ethanone, 1-(5-amino-1-methyl-1H-indol-3-yl)-

Identifiers & Physical Properties
| CAS No. | 634182-57-3 |
|---|---|
| Molecular formula | C11H12N2O |
| Average molar mass | 188.23 g/mol |
| SMILES | CC(=O)c1cn(C)c2ccc(N)cc12 |
| InChIKey | JEFJEDJWDIQZNG-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 48 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 241 |
| Boiling point | 398.8±22.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.12±0.10(Predicted) |