Home Aldehydes 2H-1-Benzopyran-3-carboxaldehyde, 7-(diethylamino)-2-oxo-

2H-1-Benzopyran-3-carboxaldehyde, 7-(diethylamino)-2-oxo-

CAS No.:
57597-64-5
Catalog Number:
AG0037KW
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
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Product Description
Catalog Number:
AG0037KW
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 7-(diethylamino)-2-oxo-
CAS Number:
57597-64-5
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD00438856
IUPAC Name:
7-(diethylamino)-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C14H15NO3/c1-3-15(4-2)12-6-5-10-7-11(9-16)14(17)18-13(10)8-12/h5-9H,3-4H2,1-2H3
InChI Key:
HWQSZPUCHJKWLS-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)C=O)CC
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
A novel coumarin Schiff-base as a Ni(II) ion colorimetric sensor. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120501
7-Diethyl-amino-2-oxo-2H-chromene-3-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20110701
Structures, synthesis, and human Nod1 stimulation of immunostimulatory bacterial peptidoglycan fragments in the environment. Journal of natural products 20110325
Formation of Toxic Amyloid Fibrils by Amyloid β-Protein on Ganglioside Clusters. International journal of Alzheimer's disease 20110101
Characterization of natural human nucleotide-binding oligomerization domain protein 1 (Nod1) ligands from bacterial culture supernatant for elucidation of immune modulators in the environment. The Journal of biological chemistry 20100730
Fluorescent agonists for the Torpedo nicotinic acetylcholine receptor. Chembiochem : a European journal of chemical biology 20080505
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
[A synthesis of new rigid fluorescent bichromophoric probes for studying mechanisms of donor-donor energy migration]. Bioorganicheskaia khimiia 20050101
Properties