chempirical

Disperse orange 25

C17H17N5O2CAS 31482-56-1323.36 g/mol

Open in Covalent MOL file
NNNNN+OO−
AzoNitrileNitroTertiary amine

Properties

Molecular formula
C17H17N5O2
Molar mass
323.36 g/mol
Exact mass
323.1382 Da
Melting point
160–161 °C
logP
4.75Crippen estimate
Polar surface area
94.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
31482-56-1
SMILES
CCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
ZSPPPAFDNHYXNW-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3

Weigh it out

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

Names and synonyms

34 names · show all
  • Propanenitrile, 3-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
  • Propionitrile, 3-[N-ethyl-p-[(p-nitrophenyl)azo]anilino]-
  • Propanenitrile, 3-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-
  • 3-[Ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile
  • 4-[N-(2-Cyanoethyl)-N-ethylamino]-4′-nitroazobenzene
  • C.I. Disperse orange 25
  • Artisil brilliant orange RL
  • Eastman polyester brilliant orange 2RL
  • Serilene orange 2RL
  • Tersetile orange RCL
  • Latyl orange NST
  • Foron brilliant orange E-RL
  • Resiren orange TR
  • Transetile orange P-RCL
  • Disperse polyester orange
  • Fantagen orange 2RL
  • Disperse brilliant orange RL
  • Dispersol orange B 2R
  • C.I. Solvent orange 105
  • Solvent orange 105
  • Synten orange P-RL
  • Resolin orange F 3R200
  • Dispersol orange B 2R200
  • Serilene orange 2RL200
  • Foron brilliant orange E-RLI
  • Serene disperse orange 25
  • Disperse orange 2K
  • Orange RL
  • Disperse orange P/E
  • Foron brilliant orange RL
  • Seriplas orange 2RL-TP
  • C.I. Disperse orange 36
  • Disperse orange 36
  • Interatherm orange P 367

Work with Disperse orange 25

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

2-[2-[4-[(2-Cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitrobenzonitrile16889-10-476 % similar 3-[[4-[2-(2,6-Dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]propanenitrile12270-45-075 % similar Disperse red 12872-52-871 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-160 % similar 2-[[4-[2-(2-Chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]-N,N,N-trimethylethanaminium14097-03-155 % similar 3-[[2-(Acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile12223-23-353 % similar 3-(Ethylphenylamino)propanenitrile148-87-851 % similar 1-(4-Nitrophenyl)piperidine6574-15-847 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook