1-Amino-2,4-dibromo-9,10-anthracenedione

C₁₄H₇Br₂NO₂CAS 81-49-2381.02 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₄H₇Br₂NO₂
Molar mass: 381.02 g/mol
Exact mass: 378.8844 Da
Melting point: 221 °C
logP: 3.57Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

81-49-2

SMILES

Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O

InChIKey

ZINRVIQBCHAZMM-UHFFFAOYSA-N

InChI

InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2

Weigh it out

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

Names and synonyms

7 names

9,10-Anthracenedione, 1-amino-2,4-dibromo-
Anthraquinone, 1-amino-2,4-dibromo-
2,4-Dibromo-1-anthraquinonylamine
1-Amino-2,4-dibromo-9,10-anthraquinone
1-Amino-2,4-dibromoanthraquinone
NSC 3529
1-Amino-2,4-dibromo-9,10-dihydroanthracene-9,10-dione

Work with 1-Amino-2,4-dibromo-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-2-bromo-4-hydroxy-9,10-anthracenedione116-82-573 % similar 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid116-81-464 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-661 % similar Disperse violet 2881-42-556 % similar 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrile81-41-453 % similar Disperse violet 2612217-95-750 % similar Disperse violet 266408-72-650 % similar Disperse red 112872-48-249 % similar

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

Elsewhere

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