chempirical

Disperse blue 79

C24H27BrN6O10CAS 12239-34-8639.42 g/mol

Open in Covalent MOL file
ONNBrN+OO−N+OO−NHONOOOO
Aryl halideAzoEsterEtherNitroTertiary amine

Properties

Molecular formula
C24H27BrN6O10
Molar mass
639.42 g/mol
Exact mass
638.0972 Da
Melting point
157 °C
logP
5.62Crippen estimate
Polar surface area
208.7 Ų
H-bond donors / acceptors
1 / 13
Rotatable bonds
14

Identifiers

CAS number
12239-34-8
SMILES
CCOc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(N=C(C)O)cc1N(CCOC(C)=O)CCOC(C)=O
InChIKey
VQIRFOAILLIZOY-UHFFFAOYSA-N
InChI
InChI=1S/C24H27BrN6O10/c1-5-39-23-13-20(27-28-24-18(25)10-17(30(35)36)11-22(24)31(37)38)19(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)

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

Names and synonyms

31 names · show all
  • Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]-
  • C.I. Disperse blue 79
  • Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]-
  • p-Acetophenetidide, 5′-[bis(2-hydroxyethyl)amino]-2′-[(2-bromo-4,6-dinitrophenyl)azo]-, diacetate
  • N-[5-[Bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-ethoxyphenyl]acetamide
  • Samaron navy blue G
  • Foron navy 2GL
  • Foron navy S 2GL
  • Foron navy blue S 2GL
  • Eastman polyester navy blue 2R-LSW
  • Ostacet navy blue S-G
  • Navy blue 2GL
  • Disperse navy blue 2GL
  • Disperse blue 2GL
  • 2-Bromo-4,6-dinitrophenylazo-2-acetamido-4-di-(2-acetoxyethyl)amino-5-ethoxybenzene
  • 2′-Acetylamino-4′-[bis(acetoxyethyl)amino]-6-bromo-2,4-dinitro-5′-ethoxyazobenzene
  • 2-Acetamido-4-[N,N-bis(β-acetoxyethyl)amino]-5-ethoxy-2′-bromo-4′,6′-dinitroazobenzene
  • Tulasteron fast navy blue 2G-D
  • Samaron marine blue G
  • Terasil navy GRL
  • Foron navy S 2GLI
  • Serilene navy blue 2GN-LS
  • C.I. 11345
  • Miketon polyester navy blue GLSF
  • Tulasteron navy blue 2GDN
  • Disperse blue HGL
  • Dianix navy S 2G
  • Disperse dark blue HGL
  • Disperse deep blue H-GL
  • Lonsperse dark blue HGL
  • Disperse navy blue HGL

Work with Disperse blue 79

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

N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-547 % similar 4-(2,5-Diethoxy-4-nitrophenyl)morpholine86-16-841 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]acetamide23128-51-041 % similar 3-[[2-(Acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile12223-23-339 % similar 4-(Acetylamino)-3-nitrobenzoic acid1539-06-637 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-136 % similar N-(4-Methoxy-2-nitrophenyl)acetamide119-81-335 % similar 3-[[4-[2-(2,6-Dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]propanenitrile12270-45-033 % similar

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

Elsewhere

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