chempirical

Disperse blue 1

C14H12N4O2CAS 2475-45-8268.28 g/mol

Open in Covalent MOL file
H2NNH2OH2NNH2O
KetonePrimary amine

Properties

Molecular formula
C14H12N4O2
Molar mass
268.28 g/mol
Exact mass
268.0960 Da
Melting point
332 °C
Water solubility
30 µg/L (25 °C)
logP
0.79Crippen estimate
Polar surface area
138.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 611-032-00-5), via PubChem.

Precautionary statements

P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
2475-45-8
SMILES
Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C2=O
InChIKey
JSFUMBWFPQSADC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2

Weigh it out

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

Names and synonyms

47 names · show all
  • 9,10-Anthracenedione, 1,4,5,8-tetraamino-
  • Duranol brilliant blue CB
  • Anthraquinone, 1,4,5,8-tetraamino-
  • 1,4,5,8-Tetraamino-9,10-anthracenedione
  • C.I. 64500
  • Acetate blue G
  • Acetoquinone blue R
  • Acetylon fast blue G
  • Amacel blue GG
  • Amacel pure blue B
  • Artisil blue SAP
  • Brasilazet blue GR
  • Celanthrene pure blue BRS
  • Celliton blue G
  • Celliton blue BB-CF
  • Celliton blue extra
  • Celliton blue GA-CF
  • Cibacet sapphire blue G
  • Cilla blue extra
  • C.I. Disperse blue 1
  • C.I. Solvent blue 18
  • Diacelliton fast blue R
  • Fenacet blue G
  • Grasol blue 2GS
  • Kayalon fast blue BR
  • Microsetile blue EB
  • Miketon fast blue
  • Miketon fast blue B
  • Nacelan blue G
  • Neosetile blue EB
  • Nyloquinone blue 2J
  • Oracet sapphire blue G
  • Perliton blue B
  • Serinyl blue 2G
  • Serinyl blue 3G
  • Serinyl blue 3GN
  • Setacyl blue 2GS
  • Setacyl blue 2GS II
  • Supracet brilliant blue 2GN
  • Supracet deep blue R
  • 1,4,5,8-Tetraaminoanthraquinone
  • Acetoquinone blue L
  • Artisil blue SAP conc
  • 1,4,5,8-Tetraamino-9,10-anthraquinone
  • NSC 39936
  • Akasperse blue R
  • Solvent blue 18

Work with Disperse blue 1

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

1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-371 % similar Disperse violet 1128-95-070 % similar 1,5-Diaminoanthraquinone129-44-256 % similar 1-Amino-4-hydroxyanthraquinone116-85-853 % similar 1-Amino-4-bromoanthraquinone81-62-953 % similar 1-Aminoanthraquinone82-45-150 % similar 1,5-Diaminochloro-4,8-dihydroxy-9,10-anthracenedione12217-79-747 % similar 1-Amino-5-chloroanthraquinone117-11-345 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook