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Home Other Building Blocks 1-(6-Bromopyridin-3-yl)piperazine

1-(6-Bromopyridin-3-yl)piperazine

CAS No.:
412347-39-8
Catalog Number:
AG0072TY
Molecular Formula:
C9H12BrN3
Molecular Weight:
242.1157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$644
- +
5g
97%
1 week
United States
$1856
- +
10g
97%
1 week
United States
$3069
- +
Product Description
Catalog Number:
AG0072TY
Chemical Name:
1-(6-Bromopyridin-3-yl)piperazine
CAS Number:
412347-39-8
Molecular Formula:
C9H12BrN3
Molecular Weight:
242.1157
MDL Number:
MFCD09910228
IUPAC Name:
1-(6-bromopyridin-3-yl)piperazine
InChI:
InChI=1S/C9H12BrN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChI Key:
OVRZSDRDBJDKBF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cn1)N1CCNCC1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.12g/mol
Monoisotopic Mass:
241.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Complementary three-dimensional quantitative structure-activity relationship modeling of binding affinity and functional potency: a study on alpha4beta2 nicotinic ligands. Journal of medicinal chemistry 20090423
New ligands with affinity for the alpha4beta2 subtype of nicotinic acetylcholine receptors. Synthesis, receptor binding, and 3D-QSAR modeling. Journal of medicinal chemistry 20060601
Properties