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- chem960
- 5368-24-1
- 2-Piperazinone,3-phenyl-4-(2-phenylethyl)-
- 4-phenethyl-3-phenylpiperazin-2-one
- AC1L5I6Z
- AC1Q6M6M
- AR-1F4992
- CTK4J8599
- NSC70395
- NSC-70395
- SureCN6829431
- DTXSID40290685
- SCHEMBL6829431
- 3-phenyl-4-(2-phenylethyl)piperazin-2-one
- 5368-24-1
- InChIKey：PWCWFEULDOSSJE-UHFFFAOYSA-N
- Inchi：InChI=1S/C18H20N2O/c21-18-17(16-9-5-2-6-10-16)20(14-12-19-18)13-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,19,21)
- SMILES：C1CN(C(C(=O)N1)C2=CC=CC=C2)CCC3=CC=CC=C3
Computed Properties
- Exact Mass: 280.1577
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Rotatable Bond Count: 4
- Monoisotopic Mass: 280.158
- Heavy Atom Count: 21
- Complexity: 332
- Isotope Atom Count: 0
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Covalently-Bonded Unit Count: 1
- XLogP3: 3
- Topological Polar Surface Area: 32.3Ų
Experimental Properties
- PSA: 32.34
- Refractive Index: 1.577
- Boiling Point: 476.5°Cat760mmHg
- Flash Point: 242°C
- Density: 1.11
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3-Phenylpiperazin-2-one CAS No.: 5368-28-5
