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Home Nitros 1-Methyl-4-(3-nitrophenyl)piperazine

1-Methyl-4-(3-nitrophenyl)piperazine

CAS No.:
148546-97-8
Catalog Number:
AG001KZO
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$87
- +
25g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG001KZO
Chemical Name:
1-Methyl-4-(3-nitrophenyl)piperazine
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
Properties