Basic information
- CAS
5344-68-3- Standard SMILES
Oc1ccccc1C=Nc1ccc(N=Cc2ccccc2O)cc1- InChIKey
CJTQTLHLELHKEM-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117776
Names & identifiers
- Preferred name
- N,N'-Bis(2-hydroxybenzylidene)-1,4-phenylenediamine
- IUPAC
- 2-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
Names & synonyms
N,N'-BIS(2-HYDROXYBENZYLIDENE)-1,4-PHENYLENEDIAMINERefChem:821749667-413-15344-68-3N,N'-Bis(salicylidene)-p-phenylenediamineCHEMBL3739902,2'-((1,4-Phenylenebis(azanylylidene))bis(methanylylidene))diphenolNSC1146Enamine_004951CBDivE_003670SCHEMBL2494083SCHEMBL2494084
Show more names
HMS1408B01bis(salicylidene)-p-phenylenediamineNSC-1146NSC49134Di-N-salicylidene-p-phenylenediamineBDBM50201112NSC-49134Bis(salicylidene)-1,4-benzenediamine
Database identifiers
- CAS
5344-68-3- PubChem CID
- 219626
- ChEMBL
CHEMBL373990- EC Number
- 667-413-1
- Nikkaji
- J1.423.251F、J1.423.252D、J707.869B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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