Flavone, 3'-(diethylaminomethyl)-4'-methoxy-3-methyl-, hydrochloride

HCID 49673

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Basic information

CAS: 67238-72-6
Standard SMILES: CC[NH+](CC)Cc1cccc2c(=O)c(C)c(-c3ccc(OC)cc3)oc12.[Cl-]
InChIKey: NQOOLFZBZFUUCV-UHFFFAOYSA-N
Molecular formula: C22H26ClNO3
Average molar mass: 387.9 g/mol
Monoisotopic mass: 387.1601214

Names & identifiers

Preferred name: Flavone, 3'-(diethylaminomethyl)-4'-methoxy-3-methyl-, hydrochloride
IUPAC: diethyl-[[2-(4-methoxyphenyl)-3-methyl-4-oxochromen-8-yl]methyl]azanium chloride

Names & synonyms

3'-(Diethylaminomethyl)-4'-methoxy-3-methylflavone hydrochloride67238-72-6FLAVONE, 3'-(DIETHYLAMINOMETHYL)-4'-METHOXY-3-METHYL-, HYDROCHLORIDERefChem:345435

Database identifiers

CAS: 67238-72-6
PubChem CID: 49673

Properties

Computed structural properties

Topological polar surface area: 40 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 517

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