Disperse black 9

C₁₆H₂₀N₄O₂CAS 12222-69-4300.36 g/mol

Open in Covalent MOL file

Alcohol Azo Primary amine Tertiary 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 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed56.9% of notifiers
H315 Causes skin irritation55.9% of notifiers
H319 Causes serious eye irritation55.9% of notifiers
H335 May cause respiratory irritation91.2% of notifiers

Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 4,4'-Diazenediyldianiline538-41-052 % similar 4-(Piperidin-1-yl)aniline2359-60-652 % similar 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-351 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook