chempirical

C.I. Direct black 17

C24H21N6NaO5SCAS 2945-96-2528.52 g/mol

Open in Covalent MOL file
ONNH2NNNHONH2SO−OONa+
AzoEtherPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C24H21N6NaO5S
Molar mass
528.52 g/mol
Exact mass
528.1192 Da
logP
5.72Crippen estimate
Polar surface area
185.3 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
6

Identifiers

CAS number
2945-96-2
SMILES
COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N=Nc1c(O)c2cc(N)ccc2cc1S([O-])(=O)=O.[Na+]
InChIKey
AFPWARVIYUUDIM-UHFFFAOYSA-N
InChI
InChI=1S/C24H22N6O5S.Na/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31;/h3-12,31H,25-26H2,1-2H3,(H,32,33,34);

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Names and synonyms

45 names · show all
  • 2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[2-(4-aminophenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
  • C.I. Direct Black 17, monosodium salt
  • Zambesi black D
  • 2-Naphthalenesulfonic acid, 6-amino-3-[[4-[(4-aminophenyl)azo]-2-methoxy-5-methylphenyl]azo]-4-hydroxy-, monosodium salt
  • C.I. 27700
  • Azine fast black D
  • Azogen black D
  • Benzamin black DS
  • Benzanil fast black D
  • Benzo grey LBGV
  • Carbide black D
  • Carbide black DU
  • Chloramine black SD
  • Chlorazol diazo black SD
  • Chrome leather black D
  • Diacotton fast black D
  • Diaphtogene black D
  • Diazamine black D
  • Diazine black DR
  • Diazo black D
  • Diazo fast black D
  • Diazo fast black MD
  • Diazol black SD
  • Diazophenyl black D
  • Diazophenyl black DC
  • Direct black 17
  • Durazol gray B
  • Fenamin diazo black D
  • Giuba black D
  • Hispadiazo black D
  • Indigene black D
  • Japanol fast black D
  • Kayaku direct fast black D
  • Mitsui direct black D
  • Phenazo black D
  • Telon fast black PE
  • Tertrodirect black ZD
  • Triamine black D
  • Vondacel black D
  • Zambesi black DA-CF
  • Direct fast black D
  • Japanol fast black D conc
  • Pyrazol black D
  • Direct grey D
  • Direct gray D

Work with C.I. Direct black 17

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

Diaminogene velour black B2429-73-461 % similar Direct black 226473-13-857 % similar Direct black 196428-31-556 % similar Allura red ac25956-17-653 % similar Direct blue 152429-74-552 % similar Direct black 381937-37-752 % similar Trypan blue72-57-149 % similar Direct blue 714399-55-749 % similar

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

Elsewhere

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