1,3-Indandione, 2-(4-(diisopropylamino)-2-butynyl)-2-phenyl-, hydrochloride

HCID 210973

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Basic information

CAS: 22019-22-3
Standard SMILES: CC(C)N(CC#CCC1(c2ccccc2)C(=O)c2ccccc2C1=O)C(C)C.Cl
InChIKey: MVUKXJUDCUFXMM-UHFFFAOYSA-N
Molecular formula: C25H28ClNO2
Average molar mass: 409.9 g/mol
Monoisotopic mass: 409.1808568

Names & identifiers

Preferred name: 1,3-Indandione, 2-(4-(diisopropylamino)-2-butynyl)-2-phenyl-, hydrochloride
IUPAC: 2-[4-[di(propan-2-yl)amino]but-2-ynyl]-2-phenylindene-1,3-dione;hydrochloride

Names & synonyms

22019-22-31,3-Indandione, 2-(4-(diisopropylamino)-2-butynyl)-2-phenyl-, hydrochlorideDTXSID601764772-Phenyl-2-(delta-diisopropylaminobutynyl)indan-1,3-dione hydrochlorideRefChem:219298DTXCID6098968AKOS0252949972-{4-[Di(propan-2-yl)amino]but-2-yn-1-yl}-2-phenyl-1H-indene-1,3(2H)-dione--hydrogen chloride (1/1)

Database identifiers

CAS: 22019-22-3
PubChem CID: 210973
DTXSID: DTXSID60176477

Properties

Computed structural properties

Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 612

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