N-(4-(Dimethylamino)benzylidene)-2-methyl-P-anisidine
Basic information
- CAS
56133-48-3- Standard SMILES
COc1ccc(N=Cc2ccc(N(C)C)cc2)c(C)c1- InChIKey
XTJIXFQGLCMKGN-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Names & identifiers
- Preferred name
- N-(4-(Dimethylamino)benzylidene)-2-methyl-P-anisidine
- IUPAC
- 4-[(4-methoxy-2-methylphenyl)iminomethyl]-N,N-dimethylaniline
- English name
- N-(4-(Dimethylamino)benzylidene)-2-methyl-p-anisidine
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.35
Names & synonyms
N-(4-(DIMETHYLAMINO)BENZYLIDENE)-2-METHYL-P-ANISIDINERefChem:82703556133-48-3665-845-5AKOS024334838Benzenamine, N-[[4-(dimethylamino)phenyl]methylene]-4-methoxy-2-methyl-
Database identifiers
- CAS
56133-48-3- PubChem CID
- 4231995
- EC Number
- 665-845-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 425.8 · 425.8±40.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 5.63 · 5.63±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H410-H335
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
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, P391, 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,GHS09
- Hazard statements
- H302-H319-H315-H410-H335
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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