1,3-Indandione, 2-benzyl-2-(4-(dimethylamino)-2-butynyl)-, hydrochloride
Basic information
- CAS
22019-24-5- Standard SMILES
CN(C)CC#CCC1(Cc2ccccc2)C(=O)c2ccccc2C1=O.Cl- InChIKey
XDHQGRGACFTSFR-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO2
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1339066
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-benzyl-2-(4-(dimethylamino)-2-butynyl)-, hydrochloride
- IUPAC
- 2-benzyl-2-[4-(dimethylamino)but-2-ynyl]indene-1,3-dione;hydrochloride
Names & synonyms
22019-24-51,3-Indandione, 2-benzyl-2-(4-(dimethylamino)-2-butynyl)-, hydrochlorideDTXSID201764782-Benzyl-2-(delta-dimethylaminobutynyl)indan-1,3-dione hydrochlorideRefChem:219311DTXCID10989692-Benzyl-2-[4-(dimethylamino)but-2-yn-1-yl]-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
22019-24-5- PubChem CID
- 210975
- DTXSID
DTXSID20176478
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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