chempirical

Disperse black 9

C16H20N4O2CAS 12222-69-4300.36 g/mol

Open in Covalent MOL file
H2NNNNOHOH
AlcoholAzoPrimary amineTertiary amine

Properties

Molecular formula
C16H20N4O2
Molar mass
300.36 g/mol
Exact mass
300.1586 Da
logP
2.48Crippen estimate
Polar surface area
94.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
7

Identifiers

CAS number
12222-69-4
SMILES
Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1
InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2

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Names and synonyms

13 names · show all
  • Ethanol, 2,2′-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-
  • Ethanol, 2,2′-[[p-[(p-aminophenyl)azo]phenyl]imino]di-
  • Ethanol, 2,2′-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-
  • 2,2′-[[4-[2-(4-Aminophenyl)diazenyl]phenyl]imino]bis[ethanol]
  • 4-Amino-4′-[bis(β-hydroxyethyl)amino]azobenzene
  • C.I. 111301
  • Eastman black SN
  • C.I. Disperse black 9
  • Amacel black 3G
  • Artisil diazo black SGVW
  • 4-(4′-Anilinoazo)-N,N-bis(2-hydroxyethyl)aniline
  • Disperse black no. 9
  • 2,2′-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol

Work with Disperse black 9

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-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol]104226-21-368 % similar N,N-Bis(2-hydroxyethyl)-P-phenylenediamine sulfate54381-16-762 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-351 % similar 4-[4-(4-Aminophenyl)-1-piperazinyl]phenol74853-08-051 % similar N-Ethyl-N-(2-hydroxyethyl)-P-phenylenediamine sulfate4327-84-851 % similar 4-Morpholinoaniline2524-67-649 % similar N,N-Bis(2-hydroxyethyl)-P-toluidine3077-12-149 % similar N-Phenyldiethanolamine120-07-048 % similar

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

Elsewhere

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