N-Lupinylphthalimide
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Basic information
- CAS
99812-93-8- Standard SMILES
O=C1c2ccccc2C(=O)N1CC1CCCN2CCCCC12- InChIKey
IJHKXSCEURLJGJ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- N-Lupinylphthalimide
- IUPAC
- 2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)isoindole-1,3-dione
- English name
- N-Lupinylphthalimide
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
N-Lupinylphthalimide99812-93-82-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)isoindole-1,3-dioneOprea1_841198DTXSID20394054HMS1611P162-(octahydro-2H-quinolizin-1-ylmethyl)-1H-isoindole-1,3(2H)-dioneSTL512186AKOS001644374AKOS021995932DB-0818782-[(Octahydro-2H-quinolizin-1-yl)methyl]-1H-isoindole-1,3(2H)-dione
Show more names
1H-Isoindole-1,3(2H)-dione, 2-[(octahydro-2H-quinolizin-1-yl)methyl]-2-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-1H-isoindol-1,3(2H)-dione
Database identifiers
- CAS
99812-93-8- PubChem CID
- 3602164
- DTXSID
DTXSID20394054
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 435.749 · 435.749±18.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.254 · 1.254±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.102 · 10.102±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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