chempirical

Disperse violet 26

C26H18N2O4CAS 12217-95-7422.44 g/mol

Open in Covalent MOL file
NH2OOH2NOO
EtherKetonePrimary amine

Properties

Molecular formula
C26H18N2O4
Molar mass
422.44 g/mol
Exact mass
422.1267 Da
Melting point
195 °C
logP
5.21Crippen estimate
Polar surface area
104.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 2,348 ECHA notifiers. Aggregated from 2,348 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
12217-95-7
SMILES
Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O
InChIKey
NZTGGRGGJFCKGG-UHFFFAOYSA-N
InChI
InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2

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Names and synonyms

30 names · show all
  • 9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-
  • C.I. Disperse violet 26
  • 1,4-Diamino-2,3-diphenoxy-9,10-anthracenedione
  • C.I. 62025
  • 1,4-Diamino-2,3-diphenoxyanthraquinone
  • Mowilith red 3B
  • Mowilith red TBP
  • C.I. Disperse violet 31
  • Sumikaron bordeaux B
  • Resolin red violet FBL
  • Samaron violet HFRL
  • Dispersol violet C 4R
  • PTV 57
  • Solvaperm red violet R
  • Red violet R
  • Macrolex red violet R
  • Sumiplast bordeaux HBL
  • Kayalon polyester red violet FBL
  • Navilene red violet IFBL
  • Sumikaron bordeaux SE-BL
  • Disperse violet HFRL
  • Navilene red violet FBL
  • Serene disperse violet 26
  • Plast red 8380
  • Solvent violet 59
  • C.I. Solvent violet 59
  • Sandoplast red violet R
  • Disperse violet 31
  • Disperse violet SE-BL
  • Disperse violet 26/31

Work with Disperse violet 26

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 red 6017418-58-562 % similar Disperse violet 2881-42-556 % similar 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrile81-41-453 % similar 1-Amino-2,4-dibromo-9,10-anthracenedione81-49-250 % similar Disperse red 112872-48-249 % similar 1,2-Diaminoanthraquinone1758-68-549 % similar Disperse violet 1128-95-049 % similar Disperse orange 1182-28-046 % similar

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

Same formula

Disperse violet 266408-72-6

Elsewhere

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