CAS
17135-49-8 Purity
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17135-49-8 Purity
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1,3,7-Trimethyl-7H-purin-7-ium-2,6-dione iodide
CAS
17135-90-9
Catalog Number
ACM17135909
Category
Other Products
Molecular Weight
322.103 g/mol
Molecular Formula
C8H11IN4O2
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Specification
Synonyms
Caffeine, hydriodide, Caffeine hydroiodide, CAFFEINE, MONOHYDRIODIDE, CID28309, LS-48597, 17135-90-9
IUPAC Name
1,3,7-trimethyl-7H-purin-7-ium-2,6-dione iodide
Canonical SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.I
InChI Key
KBOPLBWQIZNEFF-UHFFFAOYSA-N
H-Bond Acceptor
4
H-Bond Donor
1
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