sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys Ethyl 7-(diethylamino)coumarin-3-carboxylate

Ethyl 7-(diethylamino)coumarin-3-carboxylate

CAS No.:
28705-46-6
Catalog Number:
AG002W6F
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)(T)
1 week
United States
$189
- +
5g
>98.0%(GC)(T)
1 week
United States
$453
- +
Product Description
Catalog Number:
AG002W6F
Chemical Name:
Ethyl 7-(diethylamino)coumarin-3-carboxylate
CAS Number:
28705-46-6
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
MDL Number:
MFCD00227484
IUPAC Name:
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
InChI Key:
MSOLGAJLRIINNF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
EC Number:
419-180-0
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. European journal of medicinal chemistry 20111001
Fluorescent 7-diethylaminocoumarin pyrrolobenzodiazepine conjugates: synthesis, DNA interaction, cytotoxicity and differential cellular localization. Bioorganic & medicinal chemistry letters 20080315
Properties