7-(Hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitric acid

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Catalog Number
ACM63906683
Product Name
7-(Hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitric acid
CAS
63906-68-3
Category
Heterocyclic Organic Compound
Synonyms
7-Hydroxycaffeine nitrate, CID64133, LS-149599, Theophylline, 7-hydroxymethyl-, nitrate, (salt), Xanthine, 1,3-dimethyl-7-hydroxymethyl-, nitrate (salt), 63906-68-3
IUPAC Name
7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitric acid
Molecular Weight
273.203 g/mol
Molecular Formula
C8H11N5O6
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CO.[N+](=O)(O)[O-]
InChI Key
ZMANXGDEWNPXFF-UHFFFAOYSA-N
Boiling Point
480ºC at 760 mmHg
Flash Point
244.1ºC
Exact Mass
273.07100
H-Bond Acceptor
7
H-Bond Donor
2
MSDS
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COA
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Spec Sheet
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