HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57749Generated: November 3, 2026
2-(Dimethylamino)ethyl 4-(butylamino)benzoate--hydrogen bromide (1/1)
https://huagongshe.com/en/chemical/57749
Identifiers & Physical Properties
| CAS No. | 100311-22-6 |
|---|
| Molecular formula | C15H25BrN2O2 |
|---|
| Average molar mass | 345.27 g/mol |
|---|
| Monoisotopic mass | 344.10994 g/mol |
|---|
| SMILES | CCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1.[Br-] |
|---|
| InChIKey | JYLAGMQFZICMOQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 57749 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 42.8 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 20 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 249 |
|---|
