1,3-Indandione, 2-(4-morpholino-2-butynyl)-2-phenyl-, hydrochloride
Basic information
- CAS
22019-19-8- Standard SMILES
Cl.O=C1c2ccccc2C(=O)C1(CC#CCN1CCOCC1)c1ccccc1- InChIKey
CRROPFPGRJSCBD-UHFFFAOYSA-N- Molecular formula
- C23H22ClNO3
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.1288213
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(4-morpholino-2-butynyl)-2-phenyl-, hydrochloride
- IUPAC
- 2-(4-morpholin-4-ylbut-2-ynyl)-2-phenylindene-1,3-dione;hydrochloride
Names & synonyms
22019-19-81,3-Indandione, 2-(4-morpholino-2-butynyl)-2-phenyl-, hydrochlorideDTXSID001764762-Phenyl-2-(delta-morpholinobutynyl)indan-1,3-dione hydrochlorideRefChem:219306DTXCID10989672-[4-(Morpholin-4-yl)but-2-yn-1-yl]-2-phenyl-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-19-8- PubChem CID
- 210969
- DTXSID
DTXSID00176476
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
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Compound notes
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