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Chemical structure of 9-Propenyladenine

GC35208

9-Propenyladenine

Also known as 9-[(E)-prop-1-enyl]purin-6-amine

9-Propenyladenine is a mutagenic impurity in tenofovir disoproxil fumarate

ChemicalCAS1446486-33-4MW175.19FormulaC8H9N5
CAS number
1446486-33-4
Molecular weight
175.19
Formula
C8H9N5
Solubility
DMSO： ≥ 29 mg/mL (165·53 mM)
InChIKey
ACWCANXGLNLMJB-NSCUHMNNSA-N
Catalogue number
GC35208
Brand
GLPBIO
Computed properties PubChem CID 71812668 · XLogP 0.8 · TPSA 69.6 Ų · H-bond donors 1
XLogP
0.8
TPSA
69.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

SMILES C/C=C/N1C=NC2=C(N=CN=C21)N

Computed descriptors from PubChem (CID 71812668), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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