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Home Halogens 9H-Purin-6-amine, 8-bromo-9-butyl-

9H-Purin-6-amine, 8-bromo-9-butyl-

CAS No.:
202136-43-4
Catalog Number:
AG002837
Molecular Formula:
C9H12BrN5
Molecular Weight:
270.1291
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$516
- +
Product Description
Catalog Number:
AG002837
Chemical Name:
9H-Purin-6-amine, 8-bromo-9-butyl-
CAS Number:
202136-43-4
Molecular Formula:
C9H12BrN5
Molecular Weight:
270.1291
MDL Number:
MFCD09031603
IUPAC Name:
8-bromo-9-butylpurin-6-amine
InChI:
InChI=1S/C9H12BrN5/c1-2-3-4-15-8-6(14-9(15)10)7(11)12-5-13-8/h5H,2-4H2,1H3,(H2,11,12,13)
InChI Key:
FKNNQOCJLMQVAV-UHFFFAOYSA-N
SMILES:
CCCCn1c(Br)nc2c1ncnc2N
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.134g/mol
Monoisotopic Mass:
269.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorganic & medicinal chemistry 20090401
Properties