N-benzylidene-4-methylaniline
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Basic information
- CAS
116546-08-8- Standard SMILES
Cc1ccc(N=Cc2ccccc2)cc1- InChIKey
MSFVFFZPHJPOHP-UHFFFAOYSA-N- Molecular formula
- C14H13N
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.10479942
Overview
structure in first source
Names & identifiers
- Preferred name
- N-benzylidene-4-methylaniline
- IUPAC
- N-(4-methylphenyl)-1-phenylmethanimine
- English name
- BENZAL-P-TOLUIDINE
- Molecular formula
- C14H13N
- Molecular weight
- 195.26
Names & synonyms
2272-45-9N-Benzylidene-4-methylanilineDTXSID10870953NBDMARefChem:829250DTXCID30818630218-879-6N-Benzylidene-p-toluidine(E)-N-benzylidene-4-methylanilineN-(4-methylphenyl)-1-phenylmethanimine116546-08-81613-92-9
Show more names
BENZAL-P-TOLUIDINEN-p-Tolylbenzenemethanimine4-Methyl-N-benzylideneanilineN-Benzylidene-p-methylanilineN-Benzylidene-4-methylbenzenamine
Benzenamine, 4-methyl-N-(phenylmethylene)-4-Methyl-N-[(E)-phenylmethylidene]anilineBenzylidene-(4-methylphenyl)-amine4-Methyl-N-[phenylmethylidene]aniline #Benzylidene-p-tolyl-amineMaybridge3_006544Benzal-p-toluidinEINECS 218-879-6
Database identifiers
- CAS
116546-08-8、2272-45-9- PubChem CID
- 75276
- DTXSID
DTXSID10870953- ChEMBL
CHEMBL465293- EC Number
- 218-879-6
- Nikkaji
- J29.998G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 35 °C · 35°C
- Boiling point
- 321.94 °C · 321.94°C (rough estimate)
- Density
- 1.0778 · 1.0778 (rough estimate)
- refractive index
- 1.6353 · 1.6353 (estimate)
- pka
- 3.62 · 3.62±0.30(Predicted)
- CAS DataBase Reference
- 2272 · 2272-45-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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]
P264, P270, P273, P301+P317, P330, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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