1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione

C₁₄H₁₀N₂O₄CAS 145-49-3270.24 g/mol

Open in Covalent MOL file

Ketone Phenol Primary amine

Properties

Molecular formula: C₁₄H₁₀N₂O₄
Molar mass: 270.24 g/mol
Exact mass: 270.0641 Da
logP: 1.04Crippen estimate
Polar surface area: 126.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Identifiers

CAS number

145-49-3

SMILES

Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O

InChIKey

HSYLKWSCFRLSKB-UHFFFAOYSA-N

InChI

InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2

Weigh it out

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

Names and synonyms

11 names

9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy-
Anthraquinone, 1,5-diamino-4,8-dihydroxy-
4,8-Diamino-1,5-dihydroxyanthraquinone
1,5-Diamino-4,8-dihydroxyanthraquinone
4,8-Diaminoanthrarufin
1,5-Dihydroxy-4,8-diaminoanthraquinone
1,5-Dihydroxy-4,8-diamino-9,10-anthraquinone
1,5-Diamino-4,8-dihydroxy-9,10-anthraquinone
NSC 144052
NSC 3244
1,5-Diamino-4,8-dihydroxy-9,10-dihydroanthracene-9,10-dione

Work with 1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione

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

1-Amino-4-hydroxyanthraquinone116-85-877 % similar Disperse blue 12475-45-871 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-771 % similar 1,5-Diaminochloro-4,8-dihydroxy-9,10-anthracenedione12217-79-767 % similar Disperse blue 3512222-75-260 % similar 4,8-Dihydroxy-1,5-diaminoanthraquinone-3-sulfonic acid2150-60-957 % similar Disperse violet 1128-95-053 % similar Quinalizarin81-61-852 % similar

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

Same formula

4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-4

Elsewhere

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