1-Azabicyclo(2.2.2)octane, 3-(1-phthalazinyloxy)-, monohydrochloride
Basic information
- CAS
149350-04-9- Standard SMILES
Cl.c1ccc2c(OC3CN4CCC3CC4)nncc2c1- InChIKey
NJAQROKEWALNRL-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octane, 3-(1-phthalazinyloxy)-, monohydrochloride
- IUPAC
- 1-(1-azabicyclo[2.2.2]octan-3-yloxy)phthalazine;hydrochloride
Names & synonyms
3-(1-Phthalazinyloxy)-1-azabicyclo(2.2.2)octane monohydrochloride149350-04-91-Azabicyclo(2.2.2)octane, 3-(1-phthalazinyloxy)-, monohydrochlorideRefChem:227617DTXSID809336251-[(1-Azabicyclo[2.2.2]octan-3-yl)oxy]phthalazine--hydrogen chloride (1/1)
Database identifiers
- CAS
149350-04-9- PubChem CID
- 6410686
- DTXSID
DTXSID80933625
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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