HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 181908Generated: November 4, 2026
1,3-Benzodioxole-5-ethanamine, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-N,alpha-dimethyl-
https://huagongshe.com/en/chemical/181908
Identifiers & Physical Properties
| CAS No. | 67668-99-9 |
|---|
| Molecular formula | C21H25NO4 |
|---|
| Average molar mass | 355.4 g/mol |
|---|
| Monoisotopic mass | 355.17835828 g/mol |
|---|
| SMILES | CC(Cc1ccc2c(c1)OCO2)N(C)C(C)Cc1ccc2c(c1)OCO2 |
|---|
| InChIKey | IGEKELIKBPAUSL-UHFFFAOYSA-N |
|---|
| PubChem CID | 181908 |
|---|
| DTXSID | DTXSID10987030 |
|---|
Chemical & Physical Properties
| XLogP | 4.7 |
|---|
| Topological polar surface area | 40.2 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 26 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 421 |
|---|
