chempirical

7-Diethylaminocoumarin-3-carboxylic acid

C14H15NO4CAS 50995-74-9261.28 g/mol

Open in Covalent MOL file
NOOOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C14H15NO4
Molar mass
261.28 g/mol
Exact mass
261.1001 Da
logP
2.34Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50995-74-9
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)O
InChIKey
WHCPTFFIERCDSB-UHFFFAOYSA-N
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)

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Names and synonyms

1 names
  • 7-(Diethylamino)coumarin-3-carboxylic acid

Work with 7-Diethylaminocoumarin-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Hydroxycoumarin-3-carboxylic acid779-27-160 % similar Coumarin-3-carboxylic acid531-81-757 % similar Coumarin 727425-55-449 % similar 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-349 % similar 4-(Diethylamino)benzoic acid5429-28-748 % similar Coumarin 638215-36-048 % similar Macrolex yellow94945-27-448 % similar 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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