1,4:5,8-Dimethanophthalazine, 1,4,4a,5,8,8a-hexahydro-10,10-dimethyl-(1alpha,4alpha,4aalpha,5alpha,8alpha,8aalpha)-
Basic information
- CAS
89771-80-2- Standard SMILES
CC1(C)C2N=NC1C1C3C=CC(C3)C12- InChIKey
DOVAPCUYIHVHJZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 1,4:5,8-Dimethanophthalazine, 1,4,4a,5,8,8a-hexahydro-10,10-dimethyl-(1alpha,4alpha,4aalpha,5alpha,8alpha,8aalpha)-
- IUPAC
- 12,12-dimethyl-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Names & synonyms
89771-80-2DTXSID9010089651,4:5,8-Dimethanophthalazine, 1,4,4a,5,8,8a-hexahydro-10,10-dimethyl- (1alpha,4alpha,4aalpha,5alpha,8alpha,8aalpha)-10,10-Dimethyl-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanophthalazine1,4:5,8-Dimethanophthalazine, 1,4,4a,5,8,8a-hexahydro-10,10-dimethyl- (1.alpha.,4.alpha.,4a.alpha.,5.alpha.,8.alpha.,8a.alpha.)-
Database identifiers
- CAS
89771-80-2- PubChem CID
- 145203
- DTXSID
DTXSID901008965
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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