Basic information
- CAS
727664-65-5- Standard SMILES
CCc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O- InChIKey
WSDFNKPPSKGMIP-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- 8-Ethyl-5,6-dihydro-4,4,6-trimethyl-4H-pyrrolo(3,2,1-ij)quinoline-1,2-dione
- IUPAC
- 6-ethyl-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
- English name
- AKOS BBS-00006007
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
727664-65-58-Ethyl-5,6-dihydro-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione8-Ethyl-5,6-dihydro-4,4,6-trimethyl-4H-pyrrolo(3,2,1-ij)quinoline-1,2-dioneRefChem:3120058-ethyl-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dioneMFCD058397184H-Pyrrolo[3,2,1-ij]quinoline-1,2-dione, 8-ethyl-5,6-dihydro-4,4,6-trimethyl-6-ethyl-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione6-ethyl-9,11,11-trimethyl-1-azatricyclo[6.3.1.0?,(1)(2)]dodeca-4(12),5,7-triene-2,3-dioneMLS000583004CHEMBL1461452WSDFNKPPSKGMIP-UHFFFAOYSA-N
Show more names
SMR000201035A3737/0158354AKOS BBS-000060078-Ethyl-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo-[3,2,1-ij]quinoline-1,2-dione
DTXSID801143277HMS2531C17ALBB-016849SBB042143STK203169AKOS000270404AKOS016040031LS-05285
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Boiling point
- 375.6 · 375.6±52.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -1.02 · -1.02±0.60(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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