1,3-Indandione, 2-benzyl-2-(4-(diethylamino)-2-butynyl)-, hydrochloride
Basic information
- CAS
22019-26-7- Standard SMILES
CCN(CC)CC#CCC1(Cc2ccccc2)C(=O)c2ccccc2C1=O.Cl- InChIKey
FUFOIEIXMCSOSQ-UHFFFAOYSA-N- Molecular formula
- C24H26ClNO2
- Average molar mass
- 395.9 g/mol
- Monoisotopic mass
- 395.1652068
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-benzyl-2-(4-(diethylamino)-2-butynyl)-, hydrochloride
- IUPAC
- 2-benzyl-2-[4-(diethylamino)but-2-ynyl]indene-1,3-dione;hydrochloride
Names & synonyms
22019-26-72-Benzyl-2-(delta-diethylaminobutynyl)indan-1,3-dione hydrochloride1,3-Indandione, 2-benzyl-2-(4-(diethylamino)-2-butynyl)-, hydrochlorideRefChem:219310DTXSID709446242-Benzyl-2-[4-(diethylamino)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-26-7- PubChem CID
- 210977
- DTXSID
DTXSID70944624
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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