HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3aS,6aR)-1,3-Dibenzyltetrahydro-1H-selenopheno[3,4-d]imidazole-2,4-dione
(3aS, 4aR)-1,3-Dibenzyldihydro-1H-selenolo[3,4-d]imidazole-2,4-(3H,3aH)dione · cis-(+)-Tetrahydro-1,3-bis(phenylMethyl)-1H-selenolo[3,4-d]iMidazole-2,4-dione · 1H-Selenolo[3,4-d]imidazole-2,4-dione, tetrahydro-1,3-bis(phenylmethyl)-, cis-(+)- (9CI)
![(3aS,6aR)-1,3-Dibenzyltetrahydro-1H-selenopheno[3,4-d]imidazole-2,4-dione molecular structure](/img/chemical/45038946.png)
Identifiers & Physical Properties
| CAS No. | 61253-80-3 |
|---|---|
| Molecular formula | C19H18N2O2Se |
| Average molar mass | 385.3 g/mol |
| Monoisotopic mass | 386.05335 g/mol |
| SMILES | O=C1[Se]C[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 |
| InChIKey | IAJPFDYWPZACHY-IRXDYDNUSA-N |
| PubChem CID | 45038946 |
| DTXSID | DTXSID70661905 |
Chemical & Physical Properties
| Topological polar surface area | 40.6 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 486 |
| Boiling point | 573.7±60.0 °C(Predicted) |
| Solubility | Chloroform, Dichloromethane, Ethyl Acetate |
| pKa (acidity coefficient) | -1.33±0.20(Predicted) |
| Physical state | Solid |
| Color | Off-White |
Applications & Uses
Uses
(3aS, 4aR)-1,3-Dibenzyldihydro-1H-selenolo[3,4-d]imidazole-2,4-(3H,3aH)dione (cas# 61253-80-3) is a compound useful in organic synthesis.