Basic information
- CAS
67238-68-0- Standard SMILES
CCc1c(-c2ccccc2)oc2c(C[NH2+]Cc3ccccc3)c(OC)ccc2c1=O.[Cl-]- InChIKey
UBEXALXGOHQFDV-UHFFFAOYSA-N- Molecular formula
- C26H26ClNO3
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.1601214
Names & identifiers
- Preferred name
- Flavone, 8-(benzylaminomethyl)-3-ethyl-7-methoxy-, hydrochloride
- IUPAC
- benzyl-[(3-ethyl-7-methoxy-4-oxo-2-phenylchromen-8-yl)methyl]azanium chloride
Names & synonyms
8-(Benzylaminomethyl)-3-ethyl-7-methoxyflavone hydrochloride67238-68-0FLAVONE, 8-(BENZYLAMINOMETHYL)-3-ETHYL-7-METHOXY-, HYDROCHLORIDERefChem:345472
Database identifiers
- CAS
67238-68-0- PubChem CID
- 49665
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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