1-Ethyl-4-(4-nitrophenyl)piperazine - CAS 115619-00-6
Catalog: |
BB003588 |
Product Name: |
1-Ethyl-4-(4-nitrophenyl)piperazine |
CAS: |
115619-00-6 |
Synonyms: |
1-ethyl-4-(4-nitrophenyl)piperazine; 1-ethyl-4-(4-nitrophenyl)piperazine |
IUPAC Name: | 1-ethyl-4-(4-nitrophenyl)piperazine |
Description: | 1-Ethyl-4-(4-nitrophenyl)piperazine (CAS# 115619-00-6) is a useful research chemical. |
Molecular Weight: | 235.28 |
Molecular Formula: | C12H17N3O2 |
Canonical SMILES: | CCN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H17N3O2/c1-2-13-7-9-14(10-8-13)11-3-5-12(6-4-11)15(16)17/h3-6H,2,7-10H2,1H3 |
InChI Key: | XEWICNRVCQLKIG-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00614372 |
LogP: | 2.26280 |
Publication Number | Title | Priority Date |
WO-2020243442-A1 | Methods of treating urinary system cancers | 20190531 |
CN-110049969-A | Quinolines, preparation method and its medical usage | 20170207 |
US-2019375714-A1 | Quinoline compound, preparation method and medical use therefor | 20170207 |
WO-2018145621-A1 | Quinoline compound, preparation method and medical use therefor | 20170207 |
US-10800741-B2 | Quinoline compound, preparation method and medical use therefor | 20170207 |
PMID | Publication Date | Title | Journal |
22807819 | 20120701 | 1-{2-[4-(4-Nitro-phen-yl)piperazin-1-yl]eth-yl}-4-aza-1-azoniabicyclo-[2.2.2]octane iodide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.132076794 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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