Flavone, 8-(diethylaminomethyl)-3-ethyl-7-methoxy-, hydrochloride

HCID 49669

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Basic information

CAS: 67238-70-4
Standard SMILES: CCc1c(-c2ccccc2)oc2c(C[NH+](CC)CC)c(OC)ccc2c1=O.[Cl-]
InChIKey: LPICJSAUXHAQHX-UHFFFAOYSA-N
Molecular formula: C23H28ClNO3
Average molar mass: 401.9 g/mol
Monoisotopic mass: 401.1757714

Names & identifiers

Preferred name: Flavone, 8-(diethylaminomethyl)-3-ethyl-7-methoxy-, hydrochloride
IUPAC: diethyl-[(3-ethyl-7-methoxy-4-oxo-2-phenylchromen-8-yl)methyl]azanium chloride

Names & synonyms

8-(Diethylaminomethyl)-3-ethyl-7-methoxyflavone hydrochloride67238-70-4FLAVONE, 8-(DIETHYLAMINOMETHYL)-3-ETHYL-7-METHOXY-, HYDROCHLORIDERefChem:345475

Database identifiers

CAS: 67238-70-4
PubChem CID: 49669

Properties

Computed structural properties

Topological polar surface area: 40 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 534

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