2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-phenyl-
Basic information
- CAS
87373-48-6- Standard SMILES
c1ccc(C23CCC(CC2)N=N3)cc1- InChIKey
VYTIFHFARGXYDR-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Names & identifiers
- Preferred name
- 2,3-Diazabicyclo(2.2.2)oct-2-ene, 1-phenyl-
- IUPAC
- 1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
Names & synonyms
87373-48-62,3-Diazabicyclo(2.2.2)oct-2-ene, 1-phenyl-2,3-Diazabicyclo[2.2.2]oct-2-ene, 1-phenyl-1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-eneDTXSID201007516
Database identifiers
- CAS
87373-48-6- PubChem CID
- 145131
- DTXSID
DTXSID201007516- Nikkaji
- J744.567I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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