N-(4-(Diethylamino)benzylidene)-N'-phenyl-1,4-phenylenediamine
Basic information
- CAS
58066-91-4- Standard SMILES
CCN(CC)c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1- InChIKey
IYBXBQUJOXGFQL-UHFFFAOYSA-N- Molecular formula
- C23H25N3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.20484781
Names & identifiers
- Preferred name
- N-(4-(Diethylamino)benzylidene)-N'-phenyl-1,4-phenylenediamine
- IUPAC
- 4-[(4-anilinophenyl)iminomethyl]-N,N-diethylaniline
- English name
- N-(4-(Diethylamino)benzylidene)-N'-phenyl-1,4-phenylenediamine
- Molecular formula
- C23H25N3
- Molecular weight
- 343.47
Names & synonyms
N-(4-(DIETHYLAMINO)BENZYLIDENE)-N'-PHENYL-1,4-PHENYLENEDIAMINERefChem:827026666-134-258066-91-4AN-329/40792277(E)-N1-(4-(diethylamino)benzylidene)-N4-phenylbenzene-1,4-diamineIYBXBQUJOXGFQL-UHFFFAOYSA-N4-[(4-anilinophenyl)iminomethyl]-N,N-diethylanilineOprea1_103522Oprea1_130455DTXSID00365161MFCD00027766
Show more names
N-[4-(diethylamino)benzylidene]-N'-phenyl-1,4-benzenediamine1,4-Benzenediamine, N1-[[4-(diethylamino)phenyl]methylene]-N4-phenyl-N-{(E)-[4-(diethylamino)phenyl]methylidene}-N'-phenylbenzene-1,4-diamine
STK079731AKOS000492866NCGC00326791-01ZINC000002134384CCN(c1ccc(cc1)C=Nc1ccc(cc1)Nc1ccccc1)CCAB01321467-024-{(E)-[(4-Anilinophenyl)imino]methyl}-N,N-diethylanilineN((E)(4(diethylamino)phenyl)methylidene)Nphenylbenzene14diamine
Database identifiers
- CAS
58066-91-4- PubChem CID
- 1789397
- DTXSID
DTXSID00365161- EC Number
- 666-134-2
- Nikkaji
- J71.679K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 527.2 · 527.2±35.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H413-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H413-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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