4-Chloro-3-cyclohexyl-7-(diethylamino)chromen-2-one
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Basic information
- CAS
131447-45-5- Standard SMILES
CCN(CC)c1ccc2c(Cl)c(C3CCCCC3)c(=O)oc2c1- InChIKey
FRIWHGHSXVNGOW-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1495567
Names & identifiers
- Preferred name
- 4-Chloro-3-cyclohexyl-7-(diethylamino)chromen-2-one
- IUPAC
- 4-chloro-3-cyclohexyl-7-(diethylamino)chromen-2-one
- English name
- 4-chloro-3-cyclohexyl-7-(diethylamino)-2H-chromen-2-one
- Molecular formula
- C19H24ClNO2
- Molecular weight
- 333.85
Names & synonyms
4-chloro-3-cyclohexyl-7-(diethylamino)chromen-2-one4-chloro-3-cyclohexyl-7-(diethylamino)-2H-chromen-2-oneOprea1_003111Oprea1_656914AKOS000588723ST50219700AE-848/30736051AG-690/113534912H-1-Benzopyran-2-one, 4-chloro-3-cyclohexyl-7-(diethylamino)-
Database identifiers
- CAS
131447-45-5- PubChem CID
- 1721591
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 127 °C · 127 °C(Solv: hexane (110-54-3); acetone (67-64-1))
- Boiling point
- 489.1 · 489.1±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 2.91 · 2.91±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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