Basic information
- CAS
67238-78-2- Standard SMILES
CC[NH2+]Cc1c(OC)ccc2c(=O)c(CC)c(-c3ccccc3)oc12.[Cl-]- InChIKey
XLEDBNIEQNOPBL-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO3
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1444713
Names & identifiers
- Preferred name
- Flavone, 3-ethyl-8-(ethylaminomethyl)-7-methoxy-, hydrochloride
- IUPAC
- ethyl-[(3-ethyl-7-methoxy-4-oxo-2-phenylchromen-8-yl)methyl]azanium chloride
Names & synonyms
3-Ethyl-8-(ethylaminoethyl)-7-methoxyflavone hydrochloride67238-78-2FLAVONE, 3-ETHYL-8-(ETHYLAMINOMETHYL)-7-METHOXY-, HYDROCHLORIDERefChem:345443
Database identifiers
- CAS
67238-78-2- PubChem CID
- 49685
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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