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Home > Nitro Compounds > 115619-00-6
115619-00-6 | Piperazine, 1-ethyl-4-(4-nitrophenyl)-
CAS No: 115619-00-6 Catalog No: AG000G96 MDL No:MFCD00614372
Product Description
Catalog Number:
AG000G96
Chemical Name:
Piperazine, 1-ethyl-4-(4-nitrophenyl)-
CAS Number:
115619-00-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD00614372
IUPAC Name:
1-ethyl-4-(4-nitrophenyl)piperazine
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
SMILES:
CCN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 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 20120701 |
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