Bis(2-phenylethyl) 2,2-dichloro-1-(cinnamoylamino)vinylphosphonate
Basic information
- CAS
883805-32-1- Standard SMILES
O=C(/C=C/c1ccccc1)NC(=C(Cl)Cl)P(=O)(OCCc1ccccc1)OCCc1ccccc1- InChIKey
AWIPDGKKPRYNTQ-WUKNDPDISA-N- Molecular formula
- C27H26Cl2NO4P
- Average molar mass
- 530.4 g/mol
- Monoisotopic mass
- 529.0976507
Names & identifiers
- Preferred name
- Bis(2-phenylethyl) 2,2-dichloro-1-(cinnamoylamino)vinylphosphonate
- IUPAC
- (E)-N-[1-[bis(2-phenylethoxy)phosphoryl]-2,2-dichloroethenyl]-3-phenylprop-2-enamide
- English name
- Bis(2-phenylethyl) 2,2-dichloro-1-(cinnamoylamino)vinylphosphonate
- Molecular formula
- C27H26Cl2NO4P
- Molecular weight
- 530.38
Names & synonyms
AKOS024423619BIS(2-PHENYLETHYL) 2,2-DICHLORO-1-(CINNAMOYLAMINO)VINYLPHOSPHONATEPhosphonic acid, [2,2-dichloro-1-[(1-oxo-3-phenyl-2-propenyl)amino]ethenyl]-, bis(2-phenylethyl) ester
Database identifiers
- CAS
883805-32-1- PubChem CID
- 6138225
- EC Number
- 140-477-3
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 665.902 · 665.902±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.06 · 7.060±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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