chempirical

Solvent blue 59

C18H18N2O2CAS 6994-46-3294.35 g/mol

Open in Covalent MOL file
NHNHOO
KetoneSecondary amine

Properties

Molecular formula
C18H18N2O2
Molar mass
294.35 g/mol
Exact mass
294.1368 Da
Melting point
197–198 °C
logP
3.33Crippen estimate
Polar surface area
58.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
6994-46-3
SMILES
CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O
InChIKey
JUUJTYPMICHIEM-UHFFFAOYSA-N
InChI
InChI=1S/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 9,10-Anthracenedione, 1,4-bis(ethylamino)-
  • Anthraquinone, 1,4-bis(ethylamino)-
  • 1,4-Bis(ethylamino)-9,10-anthracenedione
  • C.I. Solvent blue 59
  • Calco oil blue N
  • 1,4-Bis(ethylamino)anthraquinone
  • 1,4-Bis(ethylamino)-9,10-anthraquinone
  • Kayaset blue FR
  • C.I. Solvent blue 105
  • C.I. 61552
  • Solvent blue 105
  • Ceres blue N

Work with Solvent blue 59

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 3517354-14-267 % similar Disperse blue 142475-44-761 % similar 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile62570-50-759 % similar Oil blue A14233-37-556 % similar Quinizarine green ss128-80-351 % similar 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione32724-62-251 % similar Solvent blue 104116-75-648 % similar Disperse red 982-38-247 % similar

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

Same formula

1-(Methylamino)-4-[(1-methylethyl)amino]-9,10-anthracenedione15403-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook