N-Phenyl-N'-piperonylidene-1,4-phenylenediamine
Basic information
- CAS
94543-01-8- Standard SMILES
C(=Nc1ccc(Nc2ccccc2)cc1)c1ccc2c(c1)OCO2- InChIKey
JHBTTYDVTALAAD-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117776
Names & identifiers
- Preferred name
- N-Phenyl-N'-piperonylidene-1,4-phenylenediamine
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethylideneamino)-N-phenylaniline
Names & synonyms
N-PHENYL-N'-PIPERONYLIDENE-1,4-PHENYLENEDIAMINERefChem:83095894543-01-8665-435-6Oprea1_247074AKOS001478901ST50551685[4-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-1-azavinyl)phenyl]phenylamine
Database identifiers
- CAS
94543-01-8- PubChem CID
- 4601592
- EC Number
- 665-435-6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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