N,N'-Bis(salicylidene)-1,2-phenylenediamine

C₂₀H₁₆N₂O₂CAS 3946-91-6316.36 g/mol

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Properties

Molecular formula: C₂₀H₁₆N₂O₂
Molar mass: 316.36 g/mol
Exact mass: 316.1212 Da
logP: 4.60Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3946-91-6

SMILES

C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O

InChIKey

HXFYGSOGECBSOY-UHFFFAOYSA-N

InChI

InChI=1S/C20H16N2O2/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24/h1-14,23-24H

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Names and synonyms

1 names

N,N'-Disalicylal-1,2-phenylenediamine

Work with N,N'-Bis(salicylidene)-1,2-phenylenediamine

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

Salicylideneaniline779-84-068 % similar Salicylaldazine959-36-465 % similar Salicylaldoxime94-67-761 % similar Salicylhydrazone3291-00-759 % similar Salen94-93-959 % similar N,N'-Bis(salicylidene)-1,3-propanediamine120-70-755 % similar 2,2′-(1,2-Ethanediylidenedinitrilo)bis[phenol]1149-16-254 % similar Azomethine H32266-60-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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