1,3,7-Trimethyluric acid

CAS
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CAS
5415-44-1
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Purity
97%
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Catalog Number

ACM5415441

Product Name

1,3,7-Trimethyluric acid

Structure

CAS

5415-44-1

Category

Heterocyclic Organic Compound

Synonyms

Trimethyl uric acid

IUPAC Name

1,3,7-Trimethyl-9H-purine-2,6,8-trione

Molecular Weight

210.19

Molecular Formula

C8H10N4O3

Canonical SMILES

CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

InChI Key

BYXCFUMGEBZDDI-UHFFFAOYSA-N

Boiling Point

349.7 °C

Melting Point

≥300 °C

Flash Point

242.1 °C

Density

1.3649 g/cm³

Appearance

White to pale beige solid

Storage

Refrigerator

Complexity

414

EC Number

226-507-9

Exact Mass

210.07529019

H-Bond Acceptor

H-Bond Donor

Monoisotopic Mass

210.07529019

pKa

5.85±0.70(Predicted)

Refractive Index

1.6590

Topological Polar Surface Area

73 Å²

MSDS

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COA

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Spec Sheet

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