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Home Halogens N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amine

N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amine

CAS No.:
186692-41-1
Catalog Number:
AG0075L5
Molecular Formula:
C15H16ClN5
Molecular Weight:
301.7740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$114
- +
250mg
95%
In Stock USA
United States
$221
- +
Product Description
Catalog Number:
AG0075L5
Chemical Name:
N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amine
CAS Number:
186692-41-1
Molecular Formula:
C15H16ClN5
Molecular Weight:
301.7740
MDL Number:
MFCD00674111
IUPAC Name:
N-benzyl-2-chloro-9-propan-2-ylpurin-6-amine
InChI:
InChI=1S/C15H16ClN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,20)
InChI Key:
NSQQTIIWZCVMRW-UHFFFAOYSA-N
SMILES:
Clc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.109g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.778g/mol
Monoisotopic Mass:
301.109g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Platinum(II) oxalato complexes with adenine-based carrier ligands showing significant in vitro antitumor activity. Journal of inorganic biochemistry 20100601
The first iron(III) complexes with cyclin-dependent kinase inhibitors: Magnetic, spectroscopic (IR, ES+ MS, NMR, (57)Fe Mössbauer), theoretical, and biological activity studies. Journal of inorganic biochemistry 20100401
Synthesis, characterization and in vitro cytotoxicity of the first palladium(II) oxalato complexes involving adenine-based ligands. Journal of inorganic biochemistry 20090701
Properties