2-Propenamide, N,3-diphenyl-N-(phenylmethyl)-
Basic information
- CAS
100978-95-8- Standard SMILES
O=C(C=Cc1ccccc1)N(Cc1ccccc1)c1ccccc1- InChIKey
CNSUWVXICRPAOT-UHFFFAOYSA-N- Molecular formula
- C22H19NO
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.14666423
Overview
See also: N-Benzylcinnamanilide (annotation moved to).
Names & identifiers
- Preferred name
- 2-Propenamide, N,3-diphenyl-N-(phenylmethyl)-
- IUPAC
- N-benzyl-N,3-diphenylprop-2-enamide
- English name
- (2E)-N-benzyl-N,3-diphenylprop-2-enamide
- Molecular formula
- C22H19NO
- Molecular weight
- 313.39
Names & synonyms
2-Propenamide, N,3-diphenyl-N-(phenylmethyl)-100978-95-8N-benzyl-N,3-diphenylprop-2-enamideN-benzyl-N-cinnamoylanilineSCHEMBL8721927DTXSID60308453N-BENZYLCINNAMANILIDE(2E)-N-benzyl-N,3-diphenylprop-2-enamide
Database identifiers
- CAS
100978-95-8- PubChem CID
- 306501
- DTXSID
DTXSID60308453
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 94 · 94-95 °C(Solvent: Ligroine)
- Boiling point
- 195 · 195-197 °C(Press: 0.05 Torr)
- Density
- 1.158 · 1.158±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.417 · 0.417±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H302
- Precautionary statements
- 264 · 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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