(4-Morpholin-4-ylbenzylidene)malononitrile
Basic information
- CAS
66883-92-9- Standard SMILES
N#CC(C#N)=Cc1ccc(N2CCOCC2)cc1- InChIKey
CHKTYKSOGLZPFK-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- (4-Morpholin-4-ylbenzylidene)malononitrile
- IUPAC
- 2-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrile
- English name
- Propanedinitrile,2-[[4-(4-morpholinyl)phenyl]methylene]-
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
66883-92-9(4-morpholin-4-ylbenzylidene)malononitrile2-(4-Morpholinobenzylidene)malononitrile2-{[4-(morpholin-4-yl)phenyl]methylidene}propanedinitrile2-[(4-morpholin-4-ylphenyl)methylidene]propanedinitrileNSC275408Oprea1_072840Oprea1_271919MLS000712607BDBM4322CHEMBL420385cid_321779
Show more names
2-(4-Morpholinobenzylidene)malononitrilPropanedinitrile,2-[[4-(4-morpholinyl)phenyl]methylene]-
SCHEMBL1009547DTXSID60313709HMS2750E10MFCD00654980SBB108146(4-Morpholinobenzylidene)malononitrileAKOS000438151NSC-275408
Database identifiers
- CAS
66883-92-9- PubChem CID
- 321779
- DTXSID
DTXSID60313709- ChEMBL
CHEMBL420385
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility4.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 195 · 195-196 °C(Solv: ethanol (64-17-5))
- Boiling point
- 457.3 · 457.3±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.18 · 1.18±0.40(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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