1,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-phenyl-, hydrochloride
Basic information
- CAS
22019-15-4- Standard SMILES
CCN(CC)CC#CCC1(c2ccccc2)C(=O)c2ccccc2C1=O.Cl- InChIKey
UBFDDSKIWLUBID-UHFFFAOYSA-N- Molecular formula
- C23H24ClNO2
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.1495567
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-phenyl-, hydrochloride
- IUPAC
- 2-[4-(diethylamino)but-2-ynyl]-2-phenylindene-1,3-dione;hydrochloride
Names & synonyms
22019-15-41,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-phenyl-, hydrochlorideDTXSID801764742-Phenyl-2-(delta-diethylaminobutynyl)indan-1,3-dione hydrochlorideRefChem:219297DTXCID10989652-[4-(Diethylamino)but-2-yn-1-yl]-2-phenyl-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-15-4- PubChem CID
- 210965
- DTXSID
DTXSID80176474
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
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Compound notes
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