7-[2-Hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

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CAS
2530-97-4
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Purity
96%
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Catalog Number

ACM2530974

Product Name

7-[2-Hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

Structure

CAS

2530-97-4

Category

Heterocyclic Organic Compound

Synonyms

Xanthinol, Jupal, CID9913, LS-149587, 7-(2-Hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)theophylline, Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, 2530-97-4

IUPAC Name

7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione

Molecular Weight

311.337 g/mol

Molecular Formula

C₁₃H₂₁N₅O₄

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O

InChI Key

DSFGXPJYDCSWTA-UHFFFAOYSA-N

Boiling Point

589.3ºC at 760mmHg

Flash Point

310.2ºC

Density

1.41g/cm³

Exact Mass

311.15900

H-Bond Acceptor

H-Bond Donor

MSDS

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COA

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Spec Sheet

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