chempirical

2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile

C18H16N6O2CAS 16889-10-4348.37 g/mol

Open in Covalent MOL file
NNNNN+OO−N
AzoNitrileNitroTertiary amine

Properties

Molecular formula
C18H16N6O2
Molar mass
348.37 g/mol
Exact mass
348.1335 Da
Melting point
149–150 °C
logP
4.62Crippen estimate
Polar surface area
118.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
7

Identifiers

CAS number
16889-10-4
SMILES
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1
InChIKey
QEORVDCGZONWCJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3

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

Names and synonyms

32 names · show all
  • Benzonitrile, 2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitro-
  • Benzonitrile, 2-[[p-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro-
  • Benzonitrile, 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro-
  • 2-Cyano-4-nitro-4′-(ethyl-2-cyanoethylamino)azobenzene
  • Celliton red GFL
  • C.I. Disperse red 73
  • Palanil rubine FL
  • Foron rubine SE-GFL
  • Artisil rubine GFL
  • Disperse red 73
  • Tersetile rubine RL
  • Ostacet rubine SE-LB
  • Fantagen rubine RL
  • Dianix rubine FG-SE
  • Sumikaron rubine SE-GL
  • Kayalon polyester rubine GL-SE
  • Synten rubine P-GL
  • Disperse rubine GFL
  • Miketon polyester rubine GL
  • Kayalon polyester rubine GL-SE 200
  • Disperse red SE-GFL
  • Disperse red SE 4RB
  • Cbene rubine GFL
  • Disperse ruby red GFL
  • Disperse rubine SE-GFL
  • Rubine GFL
  • Samaron red HBL 150
  • Samaron red HBL
  • Foron rubine RD-GFL
  • Disperse scarlet SE-GFL
  • Disperse rubine SE-GFL 200
  • Rubine SE/GFL

Work with 2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile

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 orange 2531482-56-176 % similar 3-[[4-[2-(2,6-Dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]propanenitrile12270-45-068 % similar 2-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethylethanaminium14097-03-158 % similar Disperse red 12872-52-855 % similar 3-[[2-(Acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile12223-23-349 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-145 % similar N-(2-Chloroethyl)-4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylbenzenamine63741-10-643 % similar 4-Nitrophthalonitrile31643-49-943 % similar

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

Elsewhere

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