N-(4-Methoxybenzylidene)-3,4-xylidine
Basic information
- CAS
53384-71-7- Standard SMILES
COc1ccc(C=Nc2ccc(C)c(C)c2)cc1- InChIKey
FAZHBEZBJXZFOQ-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Names & identifiers
- Preferred name
- N-(4-Methoxybenzylidene)-3,4-xylidine
- IUPAC
- N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)methanimine
- English name
- N-(4-Methoxybenzylidene)-3,4-xylidine
- Molecular formula
- C16H17NO
- Molecular weight
- 239.31
Names & synonyms
53384-71-7N-(4-METHOXYBENZYLIDENE)-3,4-XYLIDINERefChem:827744667-031-5Benzenamine, N-(4-methoxybenzylidene)-3,4-dimethyl-N1-(4-methoxybenzylidene)-3,4-dimethylanilineN-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)methanimineCCG-334FAZHBEZBJXZFOQ-GZTJUZNOSA-NAKOS024334986N-[(E)-(4-Methoxyphenyl)methylidene]-3,4-dimethylaniline #Benzenamine, N-[(4-methoxyphenyl)methylene]-3,4-dimethyl-
Database identifiers
- CAS
53384-71-7- PubChem CID
- 617432
- EC Number
- 667-031-5
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 395.8 · 395.8±42.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.50(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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