1,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-methyl-, hydrochloride
Basic information
- CAS
22019-31-4- Standard SMILES
CCN(CC)CC#CCC1(C)C(=O)c2ccccc2C1=O.Cl- InChIKey
SDPKUFJAURHESR-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1339066
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-methyl-, hydrochloride
- IUPAC
- 2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione;hydrochloride
- English name
- 2-(4-diethylaminobut-2-ynyl)-2-methyl-indene-1,3-dione hydrochloride
- Molecular formula
- C18H22ClNO2
- Molecular weight
- 0
Names & synonyms
22019-31-41,3-Indandione, 2-(4-(diethylamino)-2-butynyl)-2-methyl-, hydrochlorideDTXSID501764812-Methyl-2-(delta-diethylaminobutynyl)indan-1,3-dione hydrochlorideRefChem:219296DTXCID0098972SDPKUFJAURHESR-UHFFFAOYSA-N2-[4-(Diethylamino)but-2-yn-1-yl]-2-methyl-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)2-(4-diethylaminobut-2-ynyl)-2-methyl-indene-1,3-dione hydrochloride
Database identifiers
- CAS
22019-31-4- PubChem CID
- 210983
- DTXSID
DTXSID50176481
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
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Related reactions
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Compound notes
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