2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, oxime
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Basic information
- CAS
32616-17-4- Standard SMILES
COc1cc2c(cc1OC)C1C/C(=N\O)CCN1CC2- InChIKey
VERFOGIXHARZEZ-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, oxime
- IUPAC
- (NZ)-N-(9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)hydroxylamine
- English name
- 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one oxime
- Molecular formula
- C15H20N2O3
- Molecular weight
- 276.33
Names & synonyms
32616-17-42H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, oximeRefChem:10652269,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizin-2-one oxime1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one oxime
Database identifiers
- CAS
32616-17-4- PubChem CID
- 6507249
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solvent: Ethanol; Water)
- Boiling point
- 440.626 · 440.626±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3 · 1.300±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.035 · 12.035±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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