4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Basic information
- CAS
84803-48-5- Standard SMILES
CCCCC1(CO)C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O- InChIKey
BZLRLKIDKINDQD-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- 4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
- IUPAC
- 4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
- English name
- 4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
- Molecular formula
- C20H22N2O4
- Molecular weight
- 354.4
Names & synonyms
4-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione84803-48-5EINECS 284-174-5BZLRLKIDKINDQD-UHFFFAOYSA-NDTXSID501005088NS000612864-Butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenyl-
Database identifiers
- CAS
84803-48-5- PubChem CID
- 3020134
- DTXSID
DTXSID501005088- EC Number
- 284-174-5
- Nikkaji
- J309.450B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 533 · 533.0±56.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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