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Home > Nitro Compounds > 148546-97-8
148546-97-8 | Piperazine, 1-methyl-4-(3-nitrophenyl)-
CAS No: 148546-97-8 Catalog No: AG001KZO MDL No:MFCD08435858
Product Description
Catalog Number:
AG001KZO
Chemical Name:
Piperazine, 1-methyl-4-(3-nitrophenyl)-
CAS Number:
148546-97-8
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD08435858
IUPAC Name:
1-methyl-4-(3-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O2/c1-12-5-7-13(8-6-12)10-3-2-4-11(9-10)14(15)16/h2-4,9H,5-8H2,1H3
InChI Key:
IIRKKCDXJIXWHI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP). | Journal of medicinal chemistry 20011108 |
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