Basic information
- CAS
6139-73-7- Standard SMILES
O=c1c(C=Nc2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1- InChIKey
WMYHWKKLLDWPAE-UHFFFAOYSA-N- Molecular formula
- C22H17N3O2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.13207679
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-anilinomethylidyne-1,2-diphenyl-
- IUPAC
- 5-hydroxy-1,2-diphenyl-4-(phenyliminomethyl)pyrazol-3-one
- English name
- 4-(Anilinomethylene)-1,2-diphenylpyrazolidine-3,5-dione
- Molecular formula
- C22H17N3O2
- Molecular weight
- 355.39
Names & synonyms
3,5-Pyrazolidinedione, 4-anilinomethylidyne-1,2-diphenyl-6139-73-7BRN 59878364-Anilinomethylidyne-1,2-diphenyl-3,5-pyrazolidinedione4-(anilinomethylidene)-1,2-diphenylpyrazolidine-3,5-dioneDTXSID302103124-(Anilinomethylene)-1,2-diphenylpyrazolidine-3,5-dione3,5-Pyrazolidinedione, 1,2-diphenyl-4-[(phenylamino)methylene]-
Database identifiers
- CAS
6139-73-7- PubChem CID
- 201520
- DTXSID
DTXSID30210312- Nikkaji
- J51.234F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- Melting point
- 183 · 183-184 °C
- Boiling point
- 487.7 · 487.7±55.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- -0.57 · -0.57±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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