1-Methylamino-4-bromoanthraquinone

C₁₅H₁₀BrNO₂CAS 128-93-8316.15 g/mol

Open in Covalent MOL file

Aryl halide Ketone Secondary amine

Properties

Molecular formula: C₁₅H₁₀BrNO₂
Molar mass: 316.15 g/mol
Exact mass: 314.9895 Da
Melting point: 178–181 °C
logP: 3.27Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

128-93-8

SMILES

CNc1ccc(Br)c2c1C(=O)c1ccccc1C2=O

InChIKey

IIPRUQZTMZETSL-UHFFFAOYSA-N

InChI

InChI=1S/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3

Weigh it out

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

Names and synonyms

12 names

1-Bromo-4-(methylamino)-9,10-anthracenedione
9,10-Anthracenedione, 1-bromo-4-(methylamino)-
Anthraquinone, 1-bromo-4-(methylamino)-
1-(Methylamino)-4-bromoanthraquinone
1-Bromo-4-(methylamino)anthraquinone
1-N-Methylamino-4-bromo-9,10-anthraquinone
4-Bromo-1-(methylamino)anthraquinone
NSC 39941
1-Bromo-4-(N-methylamino)anthraquinone
4-Bromo-1-(N-methylamino)anthraquinone
4-Bromo-1-methylamino-9,10-anthraquinone
1-Bromo-4-(methylamino)-9,10-dihydroanthracene-9,10-dione

Work with 1-Methylamino-4-bromoanthraquinone

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

Disperse blue 142475-44-778 % similar 1-(Methylamino)-4-[(1-methylethyl)amino]-9,10-anthracenedione15403-56-263 % similar Disperse red 982-38-262 % similar Oil blue A14233-37-550 % similar Solvent blue 596994-46-350 % similar 1-Amino-2,4-dibromo-9,10-anthracenedione81-49-248 % similar Quinizarine green ss128-80-347 % similar Oil blue 3517354-14-245 % similar

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

Elsewhere

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