1,3-Indandione, 2-benzyl-2-(4-morpholino-2-butynyl)-, hydrochloride
Basic information
- CAS
22019-30-3- Standard SMILES
Cl.O=C1c2ccccc2C(=O)C1(CC#CCN1CCOCC1)Cc1ccccc1- InChIKey
PKYPPFVWAAFVEN-UHFFFAOYSA-N- Molecular formula
- C24H24ClNO3
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1444713
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-benzyl-2-(4-morpholino-2-butynyl)-, hydrochloride
- IUPAC
- 2-benzyl-2-(4-morpholin-4-ylbut-2-ynyl)indene-1,3-dione;hydrochloride
Names & synonyms
22019-30-31,3-Indandione, 2-benzyl-2-(4-morpholino-2-butynyl)-, hydrochlorideDTXSID901764802-Benzyl-2-(delta-morpholinobutynyl)indan-1,3-dione hydrochlorideRefChem:219312DTXCID50989712-Benzyl-2-[4-(morpholin-4-yl)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-30-3- PubChem CID
- 210981
- DTXSID
DTXSID90176480
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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