Cas no 14960-94-2 (Piperazine, 1-(3-nitrophenyl)-4-phenyl-)
14960-94-2 structure
Product Name:Piperazine, 1-(3-nitrophenyl)-4-phenyl-
CAS No:14960-94-2
MF:C16H17N3O2
MW:283.325083494186
CID:1322303
Update Time:2024-08-18
Piperazine, 1-(3-nitrophenyl)-4-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Piperazine, 1-(3-nitrophenyl)-4-phenyl-
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- Inchi： 1S/C16H17N3O2/c20-19(21)16-8-4-7-15(13-16)18-11-9-17(10-12-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2
- InChI Key： PJWZJLHHZCPTKL-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC([N+]([O-])=O)=C2)CCN(C2=CC=CC=C2)CC1
Computed Properties
- Exact Mass: 283.13221
- Monoisotopic Mass: 283.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3A^2
Experimental Properties
- Density: 1.238±0.06 g/cm3(Predicted)
- Boiling Point: 464.9±40.0 °C(Predicted)
- PSA: 49.62
- pka: 5.51±0.40(Predicted)
Piperazine, 1-(3-nitrophenyl)-4-phenyl- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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