1-(Methylamino)-4-[(1-methylethyl)amino]-9,10-anthracenedione

C₁₈H₁₈N₂O₂CAS 15403-56-2294.35 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₈H₁₈N₂O₂
Molar mass: 294.35 g/mol
Exact mass: 294.1368 Da
Melting point: 216–217 °C
logP: 3.32Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

15403-56-2

SMILES

CNc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O

InChIKey

VPUMFVBIIVCLPO-UHFFFAOYSA-N

InChI

InChI=1S/C18H18N2O2/c1-10(2)20-14-9-8-13(19-3)15-16(14)18(22)12-7-5-4-6-11(12)17(15)21/h4-10,19-20H,1-3H3

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

Names and synonyms

4 names

9,10-Anthracenedione, 1-(methylamino)-4-[(1-methylethyl)amino]-
Anthraquinone, 1-(isopropylamino)-4-(methylamino)-
C.I. Solvent blue 102
Solvent blue 102

Work with 1-(Methylamino)-4-[(1-methylethyl)amino]-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

Oil blue A14233-37-585 % similar Disperse blue 142475-44-776 % similar Disperse red 982-38-261 % similar Quinizarine green ss128-80-345 % similar Oil blue 3517354-14-244 % similar 2-(Methylamino)-5-chlorobenzophenone1022-13-543 % similar Solvent blue 104116-75-643 % similar Dianthrimide82-22-441 % similar

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

Same formula

Solvent blue 596994-46-3

Elsewhere

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