HuagongsheHuagongshe Chemistry Print Report · For research reference only
(9S,11R)-5,11-dimethyl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5-diene
1H,5H-Dipyrrolo[1,2-a:1,2-d]pyrazine,2,3,10,10a-tetrahydro-2,7-dimethyl-,cis-(9CI) · (2R,10AS)-2,7-DIMETHYL-2,3,10,10A-TETRAHYDRO-1H,5H-DIPYRROLO[1,2-A:1'',2''-D]PYRAZINE · 1H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine, 2,3,10,10a-tetrahydro-2,7-dimethyl-, (2R,10aS)-rel-
![(9S,11R)-5,11-dimethyl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5-diene molecular structure](/img/chemical/178806387.png)
Identifiers & Physical Properties
| CAS No. | 202721-35-5 |
|---|---|
| Molecular formula | C12H18N2 |
| Average molar mass | 190.28 g/mol |
| SMILES | Cc1cc2n(c1)C[C@@H]1C[C@@H](C)CN1C2 |
| InChIKey | HGGOONVVGBNFME-PWSUYJOCSA-N |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 8.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 228 |
| Boiling point | 297.154±28.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.189±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 8.071±0.40(predicted) |