N-(3,4-Dimethoxybenzylidene)-P-toluidine
Basic information
- CAS
67101-90-0- Standard SMILES
COc1ccc(C=Nc2ccc(C)cc2)cc1OC- InChIKey
NXIZYRIJQVDBOZ-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-(3,4-Dimethoxybenzylidene)-P-toluidine
- IUPAC
- 1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
- English name
- N-(3,4-Dimethoxybenzylidene)-p-toluidine
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
N-(3,4-DIMETHOXYBENZYLIDENE)-P-TOLUIDINE67101-90-0RefChem:825836665-851-8N-(3,4-Dimethoxybenzylidene)-4-methylanilineAKOS002221763ST501174334-[(1E)-2-(4-methylphenyl)-2-azavinyl]-1,2-dimethoxybenzeneBenzenamine, N-[(3,4-dimethoxyphenyl)methylene]-4-methyl-
Database identifiers
- CAS
67101-90-0- PubChem CID
- 964993
- EC Number
- 665-851-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 91 · 91-93 °C
- Boiling point
- 394.9 · 394.9±42.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 4.17 · 4.17±0.50(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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