7-(Diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
Basic information
- CAS
261943-47-9- Standard SMILES
CCN(CC)c1ccc2cc(C(=O)n3ccnc3)c(=O)oc2c1- InChIKey
HFXKNJHVXQURHV-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Names & identifiers
- Preferred name
- 7-(Diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
- IUPAC
- 7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
- English name
- 7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC
- Molecular formula
- C17H17N3O3
- Molecular weight
- 311.34
Names & synonyms
261943-47-97-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one1-[7-(Diethylamino)-3-coumarinylcarbonyl]imidazole7-(Diethylamino)-3-(imidazol-1-ylcarbonyl)-1-benzopyran-2-oneMFCD049745737-(Diethylamino)-3-(1H-imidazole-1-carbonyl)-2H-chromen-2-onestarbld00045017-(DIETHYLAMINO)COUMARIN-3-CARBOXYLICSCHEMBL5950635DTXSID10408159DB-2535817-Diethylaminocoumarin-3carboxylicacidimidazolide
Show more names
7-Diethylaminocoumarin-3 carboxylic acid imidazolide2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1H-imidazol-1-ylcarbonyl)-1-[[7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbonyl]-1H-imidazole
7-(Diethylamino)-3-(1H-imidazole-1-carbonyl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
261943-47-9- PubChem CID
- 5083976
- DTXSID
DTXSID10408159- Nikkaji
- J1.307.404F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Boiling point
- 558.3 · 558.3±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.10(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses7-(Diethylamino)-3-(imidazol-1-ylcarbonyl)-1-benzopyran-2-one is a reagent used to label of hydroxy compounds with fluorescent.
Uses7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC is a flourescent reagent for use in circular dichroic exciton method for derivatisation of hydroxyl-groups under mild conditions. The absorption at 406 nm is futher in the red than for reagents like naphthoylimidazole.
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Compound notes
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