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1,3,7-trimethyluric acid

CAS 5415-44-1C8H10N4O3MW 210.19

1,3,7-trimethyluric acid (CAS 5415-44-1) — formula C8H10N4O3, molecular weight 210.19; category organic chemicals.

Product Overview

CAS Number5415-44-1
Molecular FormulaC8H10N4O3
Molecular Weight210.19
LogP-0.37
CategoryOrganic Chemicals

Technical Profile

What this product is

1,3,7-trimethyluric acid is a carbon-based organic compound with CAS registry number 5415-44-1 and molecular formula C8H10N4O3 (molecular weight 210.19), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5415-44-1

Its molecular formula C8H10N4O3 comprises 8 C, 10 H, 4 N, 3 O atoms.

Also known as: 1,3,7-trimethyluric acid · 1,3,7-三甲基尿酸

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1,3,7-trimethyluric acid?

The CAS registry number of 1,3,7-trimethyluric acid is 5415-44-1.

What is the molecular formula and molecular weight of 1,3,7-trimethyluric acid?

Molecular formula C8H10N4O3, molecular weight 210.19.

What other names is 1,3,7-trimethyluric acid known by?

It is also registered under: 1,3,7-trimethyluric acid, 1,3,7-三甲基尿酸.

Which category does 1,3,7-trimethyluric acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 1,3,7-trimethyluric acid (CAS 5415-44-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5415-44-1
PubChem CID79437
Molecular formulaC8H10N4O3
IUPAC name1,3,7-trimethyl-9H-purine-2,6,8-trione
UNII (FDA)Z61UN6MHB7

Computed descriptors

Molecular Weight210.19
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass210.07529019
Monoisotopic Mass210.07529019
Topological Polar Surface Area73
Heavy Atom Count15

Physicochemical values on record

Solubility5.5 mg/mL at 15 °C
LogP-0.37

Documented uses on record

  • 1,3,7-Trimethyluric acid is a known human metabolite of caffeine.

Synonyms and trade names

1,3,7-Trimethyluric acid; 5415-44-1; 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione; 8-Oxocaffeine; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-; Z61UN6MHB7; DTXSID50202496; NSC-11259; NSC-95858; 1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; J2.233K; CHEBI:691622; TRIMETHYLURIC ACID, 1,3,7-; RefChem:906845; DTXCID50124987; 226-507-9

What the public record says

1,3,7-trimethyluric acid · CAS 5415-44-1 · C8H10N4O3. UNII Z61UN6MHB7. Solubility: 5.5 mg/mL at 15 °C; LogP: -0.37.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 1,3,7-三甲基尿酸

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