Basic information
- CAS
24678-99-7- Standard SMILES
CCCCCOc1ccc(C=Nc2ccc(N=Cc3ccc(OCCCCC)cc3)cc2)cc1- InChIKey
RYUJOFVIJPUISY-UHFFFAOYSA-N- Molecular formula
- C30H36N2O2
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.2776784
Names & identifiers
- Preferred name
- N,N'-Bis(4-pentyloxybenzylidene)-1,4-phenylenediamine
- IUPAC
- 1-(4-pentoxyphenyl)-N-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]methanimine
- English name
- N,N'-Bis(4-pentyloxybenzylidene)-1,4-phenylenediamine
- Molecular formula
- C30H36N2O2
- Molecular weight
- 456.62
Names & synonyms
N,N'-BIS(4-PENTYLOXYBENZYLIDENE)-1,4-PHENYLENEDIAMINERefChem:82181124678-99-7653-639-8SCHEMBL2451978SCHEMBL2451979AKOS0244301241,4-Benzenediamine, N1,N4-bis[[4-(pentyloxy)phenyl]methylene]-
Database identifiers
- CAS
24678-99-7- PubChem CID
- 3551920
- EC Number
- 653-639-8
- Nikkaji
- J910.406B
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 609 · 609.0±50.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 5.44 · 5.44±0.50(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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