Flavone, 6-(dipropylaminomethyl)-3-methyl-, monohydrochloride

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Basic information

CAS: 101491-46-7
Standard SMILES: CCC[NH+](CCC)Cc1ccc2oc(-c3ccccc3)c(C)c(=O)c2c1.[Cl-]
InChIKey: TXTPAWPBOYTHGO-UHFFFAOYSA-N
Molecular formula: C23H28ClNO2
Average molar mass: 385.9 g/mol
Monoisotopic mass: 385.1808568

Names & identifiers

Preferred name: Flavone, 6-(dipropylaminomethyl)-3-methyl-, monohydrochloride
IUPAC: (3-methyl-4-oxo-2-phenylchromen-6-yl)methyl-dipropylazanium chloride

Names & synonyms

REC 7-0112101491-46-76-(Dipropylaminomethyl)-3-methyl-flavone hydrochloride3-Metil-6-dipropilamminometil-flavone-cloridrato [Italian]3-Metil-6-dipropilamminometil-flavone-cloridratoFLAVONE, 6-(DIPROPYLAMINOMETHYL)-3-METHYL-, MONOHYDROCHLORIDERefChem:345458

Database identifiers

CAS: 101491-46-7
PubChem CID: 58411

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 500

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Compound notes

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