Cas no 1160098-03-2 (4-ethyl-1-(3-nitrophenyl)-2-Piperazinone)
1160098-03-2 structure
Product Name:4-ethyl-1-(3-nitrophenyl)-2-Piperazinone
CAS No:1160098-03-2
MF:C12H15N3O3
MW:249.265802621841
CID:1100118
PubChem ID:67478807
Update Time:2025-04-20
4-ethyl-1-(3-nitrophenyl)-2-Piperazinone Chemical and Physical Properties
Names and Identifiers
-
- 4-ethyl-1-(3-nitrophenyl)-2-Piperazinone
- 4-Ethyl-1-(3-nitro-phenyl)-piperazin-2-one
- DB-106798
- 1160098-03-2
- SCHEMBL2634327
- URFKOXQLFYTQGK-UHFFFAOYSA-N
-
- Inchi： 1S/C12H15N3O3/c1-2-13-6-7-14(12(16)9-13)10-4-3-5-11(8-10)15(17)18/h3-5,8H,2,6-7,9H2,1H3
- InChI Key： URFKOXQLFYTQGK-UHFFFAOYSA-N
- SMILES： O=C1CN(CC)CCN1C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 249.11134135g/mol
- Monoisotopic Mass: 249.11134135g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 329
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 69.4?2
4-ethyl-1-(3-nitrophenyl)-2-Piperazinone Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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