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121683-11-2 | 9H-Purine-9-butanol, 6-amino-, hydrochloride (1:1)
CAS No: 121683-11-2 Catalog No: AG0015JV MDL No:
Product Description
Catalog Number:
AG0015JV
Chemical Name:
9H-Purine-9-butanol, 6-amino-, hydrochloride (1:1)
CAS Number:
121683-11-2
Molecular Formula:
C9H14ClN5O
Molecular Weight:
243.6934
IUPAC Name:
4-(6-aminopurin-9-yl)butan-1-ol
InChI:
InChI=1S/C9H13N5O/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-15/h5-6,15H,1-4H2,(H2,10,11,12)
InChI Key:
YVGRTJPOYUDDOY-UHFFFAOYSA-N
SMILES:
OCCCCn1cnc2c1ncnc2N.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.237g/mol
Monoisotopic Mass:
207.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Adenallene and cytallene: acyclic-nucleoside analogues that inhibit replication and cytopathic effect of human immunodeficiency virus in vitro. | Proceedings of the National Academy of Sciences of the United States of America 19880801 |
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