1,3,4-Triphenylazetidin-2-one
Basic information
- CAS
7477-20-5- Standard SMILES
O=C1C(c2ccccc2)C(c2ccccc2)N1c1ccccc1- InChIKey
IUQCUELHHDRDJI-UHFFFAOYSA-N- Molecular formula
- C21H17NO
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.13101417
Names & identifiers
- Preferred name
- 1,3,4-Triphenylazetidin-2-one
- IUPAC
- 1,3,4-triphenylazetidin-2-one
- English name
- 1,3,4-Triphenyl-2-azetidinone
- Molecular formula
- C21H17NO
- Molecular weight
- 299.37
Names & synonyms
1,3,4-triphenylazetidin-2-one7477-20-5DTXSID50331199RefChem:217092DTXCID50282293NSC400797SCHEMBL2614584AKOS004909039NSC-4007971,3,4-TRIPHENYL-2-AZETIDINONE2-Azetidinone, 1,3,4-triphenyl-
Database identifiers
- CAS
7477-20-5- PubChem CID
- 436302
- DTXSID
DTXSID50331199- Nikkaji
- J466.760C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Boiling point
- 512.7 · 512.7±50.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- -1.07 · -1.07±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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