7-(Diethylamino)coumarin-3-carboxylic Acid - CAS 50995-74-9
Catalog: |
BB027284 |
Product Name: |
7-(Diethylamino)coumarin-3-carboxylic Acid |
CAS: |
50995-74-9 |
Synonyms: |
7-(diethylamino)-2-oxo-1-benzopyran-3-carboxylic acid; 7-(diethylamino)-2-oxochromene-3-carboxylic acid |
IUPAC Name: | 7-(diethylamino)-2-oxochromene-3-carboxylic acid |
Description: | 7-(Diethylamino)coumarin-3-carboxylic acid is an amine-reactive, non-activated fluorescent probe for bioconjugation. |
Molecular Weight: | 261.28 |
Molecular Formula: | C14H15NO4 |
Canonical SMILES: | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O |
InChI: | InChI=1S/C14H15NO4/c1-3-15(4-2)10-6-5-9-7-11(13(16)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H,16,17) |
InChI Key: | WHCPTFFIERCDSB-UHFFFAOYSA-N |
Boiling Point: | 464.7 °C at 760 mmHg |
Melting Point: | 229 °C |
Purity: | > 98 % |
Density: | 1.317 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00068721 |
Emission: | 470-480 nm |
Excitation: | 430-440 nm |
LogP: | 2.33740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
24095010 | 20131115 | Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells | Bioorganic & medicinal chemistry |
22463021 | 20120201 | Targeted detection of murine colonic dysplasia in vivo with flexible multispectral scanning fiber endoscopy | Journal of biomedical optics |
22189135 | 20120115 | High-affinity fluorescent ligands for the 5-HT(3) receptor | Bioorganic & medicinal chemistry letters |
21872365 | 20111001 | Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives | European journal of medicinal chemistry |
21404410 | 20110321 | Intense blue fluorescence in a leucine zipper assembly | Chembiochem : a European journal of chemical biology |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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