Basic information
- CAS
3468-03-9- Standard SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+](C)C)cccc2c1=O.[Cl-]- InChIKey
QFJMLRAUJHSEOY-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO4
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1237359
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
- IUPAC
- dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
Names & synonyms
3468-03-94H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochlorideRefChem:1071864Dimethylaminoethyl 3-methylflavone-8-carboxylate hydrochlorideREC 1-0269
Database identifiers
- CAS
3468-03-9- PubChem CID
- 18968
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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