HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 200094Generated: October 27, 2026
Isonipecotamide, 1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, dihydrochloride
https://huagongshe.com/en/chemical/200094
Identifiers & Physical Properties
| CAS No. | 5610-87-7 |
|---|
| Molecular formula | C25H36Cl2N4O |
|---|
| Average molar mass | 479.5 g/mol |
|---|
| Monoisotopic mass | 478.2266172 g/mol |
|---|
| SMILES | CN(C)C1(C(N)=O)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1.Cl.Cl |
|---|
| InChIKey | IMYPWBVCAZTBGI-UHFFFAOYSA-N |
|---|
| PubChem CID | 200094 |
|---|
| DTXSID | DTXSID20204649 |
|---|
Chemical & Physical Properties
| Topological polar surface area | 52.8 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 32 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 547 |
|---|
