Basic information
- CAS
202721-35-5- Standard SMILES
Cc1cc2n(c1)C[C@@H]1C[C@@H](C)CN1C2- InChIKey
HGGOONVVGBNFME-PWSUYJOCSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
Names & identifiers
- Preferred name
- (9S,11R)-5,11-dimethyl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5-diene
- IUPAC
- (9S,11R)-5,11-dimethyl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5-diene
- English name
- 1H,5H-Dipyrrolo[1,2-a:1,2-d]pyrazine,2,3,10,10a-tetrahydro-2,7-dimethyl-,cis-(9CI)
- Molecular formula
- C12H18N2
- Molecular weight
- 190.29
Names & synonyms
202721-35-5(2R,10AS)-2,7-dimethyl-1,2,3,5,10,10a-hexahydrodipyrrolo[1,2-a:1',2'-d]pyrazine1H,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]PYRAZINE1H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine, 2,3,10,10a-tetrahydro-2,7-dimethyl-, (2R,10aS)-rel-
Database identifiers
- CAS
202721-35-5- Nikkaji
- J956.895F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 297.154 · 297.154±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.189 · 1.189±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.071 · 8.071±0.40(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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