chempirical

2-Aminoanthraquinone

C14H9NO2CAS 117-79-3223.23 g/mol

Open in Covalent MOL file
H2NOO
KetonePrimary amine

Properties

Molecular formula
C14H9NO2
Molar mass
223.23 g/mol
Exact mass
223.0633 Da
Melting point
302 °C
logP
2.04Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
117-79-3
SMILES
Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
XOGPDSATLSAZEK-UHFFFAOYSA-N
InChI
InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2

Weigh it out

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

Names and synonyms

7 names
  • 9,10-Anthracenedione, 2-amino-
  • Anthraquinone, 2-amino-
  • 2-Amino-9,10-anthracenedione
  • 2-Amino-9,10-anthraquinone
  • β-Aminoanthraquinone
  • NSC 5
  • 2-Amino-9,10-dihydroanthracene-9,10-dione

Work with 2-Aminoanthraquinone

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

2,6-Diaminoanthraquinone131-14-688 % similar 2-Amino-9H-fluoren-9-one3096-57-970 % similar Anthraquinone84-65-158 % similar 2-Chloroanthraquinone131-09-955 % similar 2-Hydroxyanthraquinone605-32-355 % similar 2-Methylanthraquinone84-54-855 % similar 2,3-Dimethylanthraquinone6531-35-753 % similar Bianthrone434-85-552 % similar

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

Same formula

N-Phenylphthalimide520-03-6 9-Nitroanthracene602-60-8 1-Phenylisatin723-89-7 1-Aminoanthraquinone82-45-1

Elsewhere

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