Basic information
- CAS
7157-29-1- Standard SMILES
O=C(c1c2c(nc3ccccc13)CCCC2)N1CCOCC1- InChIKey
MVDXQTJHPRBMOK-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- Morpholino(1,2,3,4-tetrahydro-9-acridinyl) ketone
- IUPAC
- morpholin-4-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
- English name
- 4-[(1,2,3,4-Tetrahydroacridin-9-yl)carbonyl]morpholine
- Molecular formula
- C18H20N2O2
- Molecular weight
- 296.36
Names & synonyms
7157-29-1KETONE, MORPHOLINO(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)RZ6ZZW2TXI4-Morpholinocarbonyl-2,3-tetramethylenequinolineNSC 107326BRN 1220916Acridine, 1,2,3,4-tetrahydro-9-(morpholinocarbonyl)-Acridine, 9-(morpholinocarbonyl)-1,2,3,4-tetrahydro-UNII-RZ6ZZW2TXINSC-107326Morpholine, 4-((1,2,3,4-tetrahydro-9-acridinyl)carbonyl)-DTXSID40221797
Show more names
4-[(1,2,3,4-Tetrahydroacridin-9-yl)carbonyl]morpholine
Morpholino(1,2,3,4-tetrahydro-9-acridinyl) ketone4-MORPHOLINYL(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)METHANONEMETHANONE, 4-MORPHOLINYL(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)-RefChem:201838DTXCID70144288Morpholine, 4-((1,2,3,4-tetrahydro-9-acridinyl)carbonyl)-(8CI)Morpholine, 4-((1,2,3,4-tetrahydro-9-acridinyl)carbonyl)-(8CI)(9CI)morpholin-4-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
Database identifiers
- CAS
7157-29-1- PubChem CID
- 23545
- DTXSID
DTXSID40221797- ChEMBL
CHEMBL4897003
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 437.96 °C · 437.96°C (rough estimate)
- Density
- 1.1499 · 1.1499 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 4.9 · 4.90±0.20(Predicted)
- FDA UNII
- 6 ZZW2TXI · RZ6ZZW2TXI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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