Basic information
- CAS
3468-06-2- Standard SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+](C(C)C)C(C)C)cccc2c1=O.[Cl-]- InChIKey
HYKZXMGTMGDQHL-UHFFFAOYSA-N- Molecular formula
- C25H30ClNO4
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1863361
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(diisopropylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride
Names & synonyms
Diisopropylamino 3-methylflavone-8-carboxylate hydrochlorideREC 1-04693468-06-24H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(diisopropylamino)ethyl ester, hydrochlorideRefChem:297428
Database identifiers
- CAS
3468-06-2- PubChem CID
- 18974
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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