2-Cyano-N-(4-cyanophenyl)-3-(5-phenyl-2-furyl)acrylamide
Basic information
- CAS
304896-19-3- Standard SMILES
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(C#N)cc1- InChIKey
WZYNKTFTGOFYDA-SFQUDFHCSA-N- Molecular formula
- C21H13N3O2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.10077667
Names & identifiers
- Preferred name
- 2-Cyano-N-(4-cyanophenyl)-3-(5-phenyl-2-furyl)acrylamide
- IUPAC
- (E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
- English name
- (2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
- Molecular formula
- C21H13N3O2
- Molecular weight
- 339.35
Names & synonyms
304896-19-32-CYANO-N-(4-CYANOPHENYL)-3-(5-PHENYL-2-FURYL)ACRYLAMIDERefChem:470696684-037-32-Cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)acrylamide(E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamideSTK952391AKOS001659998BIM-0049383.P001ST50077725(2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenyl(2-furyl))prop-2-enamide(2E)-2-cyano-N-(4-cyanophenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
Database identifiers
- CAS
304896-19-3- PubChem CID
- 726323
- EC Number
- 684-037-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- Boiling point
- 624.516 · 624.516±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.315 · 1.315±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.213 · 9.213±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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