chempirical

Coumarin 7

C20H19N3O2CAS 27425-55-4333.39 g/mol

Open in Covalent MOL file
NNHNOO
Tertiary amine

Properties

Molecular formula
C20H19N3O2
Molar mass
333.39 g/mol
Exact mass
333.1477 Da
Density
1.35 g/mL
Melting point
242 °C
logP
4.18Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
27425-55-4
SMILES
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
InChIKey
GOLORTLGFDVFDW-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

32 names · show all
  • 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-
  • Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)-
  • 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
  • 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin
  • Coumarin 535
  • Oracet yellow 8GF
  • C.I. Disperse yellow 82
  • Setaron brilliant flavine 8GFF
  • Terasil brilliant flavine 8GFF
  • Disperse yellow 82
  • Kayaset yellow SF-G
  • K 7
  • Polycron brilliant yellow 10GF
  • Terasil flavine 8GFF
  • Sumikaron brilliant flavine S 10G
  • Disperse yellow 8GFF
  • Yellow 8GFF
  • Solvent yellow 185
  • C.I. Solvent yellow 185
  • C.I. 551200
  • Solvent yellow 145
  • C.I. Solvent yellow 145
  • Keystone fluorescent yellow 10G
  • NSC 303254
  • 3-(Benzimidazol-2-yl)-7-diethylamino-2H-benzopyran-2-one
  • Day-glo savannah yellow
  • C.I. Solvent yellow 171
  • Fluorescent yellow 9GF
  • 3-(2′-Benzimidazolyl)-7-(diethylamino)coumarin
  • D 820 Savannah yellow
  • Savannah yellow
  • Fluorescent yellow 10G

Work with Coumarin 7

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

Coumarin 638215-36-066 % similar Macrolex yellow94945-27-457 % similar 3-(Diethylamino)-7-oxo-7H-[1]benzopyrano[3′,2′:3,4]pyrido[1,2-A]benzimidazole-6-carbonitrile52372-36-844 % similar Nile red7385-67-342 % similar Solvent red 19752372-39-140 % similar Chlorfenazole3574-96-738 % similar Coumarin 191-44-137 % similar 2-Ethylbenzimidazole1848-84-634 % similar

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

Elsewhere

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