chempirical

5-Aminofluorescein

C20H13NO5CAS 3326-34-9347.33 g/mol

Open in Covalent MOL file
NH2OOOHOHO
EsterEtherLactonePhenolPrimary amine

Properties

Molecular formula
C20H13NO5
Molar mass
347.33 g/mol
Exact mass
347.0794 Da
logP
3.25Crippen estimate
Polar surface area
102.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
0

Identifiers

CAS number
3326-34-9
SMILES
Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChIKey
GZAJOEGTZDUSKS-UHFFFAOYSA-N
InChI
InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2

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Names and synonyms

6 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 5-amino-3′,6′-dihydroxy-
  • Fluorescein, 5-amino-
  • 5-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • 4-Aminofluorescein
  • Fluorescein amine isomer 1
  • Fluoresceinamine-I

Work with 5-Aminofluorescein

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

Fluorescein2321-07-571 % similar 5-Fam76823-03-567 % similar Fluorescein 5-isothiocyanate3326-32-762 % similar 6-Carboxyfluorescein3301-79-961 % similar Carboxyfluorescein succinimidyl ester92557-81-854 % similar 4,5,6,7-Tetrachlorofluorescein6262-21-153 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-651 % similar Sodium fluorescein518-47-845 % similar

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

Same formula

6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook