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

HCID 49697

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Basic information

CAS: 67238-84-0
Standard SMILES: COc1ccc(-c2oc3ccccc3c(=O)c2C)cc1C[NH+]1CCOCC1.[Cl-]
InChIKey: CNANZULPBUEMPH-UHFFFAOYSA-N
Molecular formula: C22H24ClNO4
Average molar mass: 401.9 g/mol
Monoisotopic mass: 401.1393859

Names & identifiers

Preferred name: Flavone, 4'-methoxy-3-methyl-3'-(morpholinomethyl)-, hydrochloride
IUPAC: 2-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-3-methylchromen-4-one chloride

Names & synonyms

4'-Methoxy-3-methyl-3'-(morpholinomethyl)flavone hydrochloride67238-84-0FLAVONE, 4'-METHOXY-3-METHYL-3'-(MORPHOLINOMETHYL)-, HYDROCHLORIDERefChem:345454

Database identifiers

CAS: 67238-84-0
PubChem CID: 49697

Properties

Computed structural properties

Topological polar surface area: 49.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 569

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