chempirical

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

C20H16N2O2CAS 3946-91-6316.36 g/mol

Open in Covalent MOL file
NNOHOH
IminePhenol

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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