2,2′-[[4-[2-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol]

C₁₇H₂₂N₄O₂CAS 104226-21-3314.39 g/mol

Open in Covalent MOL file

Alcohol Azo Primary amine Tertiary amine

Properties

Molecular formula: C₁₇H₂₂N₄O₂
Molar mass: 314.39 g/mol
Exact mass: 314.1743 Da
Melting point: 149 °C
logP: 2.78Crippen estimate
Polar surface area: 94.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H400 Very toxic to aquatic life50% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P316, P301+P317, P304+P340, P319, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

104226-21-3

SMILES

Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc(N)cc1

InChIKey

YSVKKVUAUKQDBY-UHFFFAOYSA-N

InChI

InChI=1S/C17H22N4O2/c1-13-12-16(21(8-10-22)9-11-23)6-7-17(13)20-19-15-4-2-14(18)3-5-15/h2-7,12,22-23H,8-11,18H2,1H3

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Names and synonyms

6 names

Ethanol, 2,2′-[[4-[2-(4-aminophenyl)diazenyl]-3-methylphenyl]imino]bis-
Ethanol, 2,2′-[[4-[(4-aminophenyl)azo]-3-methylphenyl]imino]bis-
3-Methyl-4-(4′-anililnoazo)-N,N-bis(2-hydroxyethyl)aniline
HC yellow no. 7
HC Yellow 7
HC Yellow 77

Work with 2,2′-[[4-[2-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol]

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 black 912222-69-468 % similar 3-Methyl-4-[2-(4-methylphenyl)diazenyl]benzenamine3963-79-952 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-745 % similar 4-m-Tolylazo-m-toluidine3398-09-243 % similar 4-((4-Aminophenyl)azo)-N,N-dimethylaniline539-17-342 % similar Color developing agent 425646-77-941 % similar N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-841 % similar 4-(Ethyl(2-hydroxyethyl)amino)-o-tolualdehyde21850-52-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Resiquimod144875-48-9

Elsewhere

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