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210046-35-8 | 9H-Purin-6-amine, 9-ethyl-2-iodo-
CAS No: 210046-35-8 Catalog No: AG002KJQ MDL No:
Product Description
Catalog Number:
AG002KJQ
Chemical Name:
9H-Purin-6-amine, 9-ethyl-2-iodo-
CAS Number:
210046-35-8
Molecular Formula:
C7H8IN5
Molecular Weight:
289.0764
IUPAC Name:
9-ethyl-2-iodopurin-6-amine
InChI:
InChI=1S/C7H8IN5/c1-2-13-3-10-4-5(9)11-7(8)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12)
InChI Key:
FCDAIPWRQRLWIE-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1nc(I)nc2N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.08g/mol
Monoisotopic Mass:
288.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 2- and 8-alkynyl-9-ethyladenines: Synthesis and biological activity at human and rat adenosine receptors. | Purinergic signalling 20050601 |
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