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Home › Product Catalog › 3-Methylxanthine

3-Methylxanthine

CAS 1076-22-8C6H6N4O2MW 166.14

3-Methylxanthine (CAS No. 1076-22-8) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Specifications

CAS Number1076-22-8
Molecular FormulaC6H6N4O2
Molecular Weight166.14
Melting Point> 300 °C
LogP-0.50
Purity按批次COA提供(不公开发布)
Packaging按订单/批次确认(不公开发布)
ApplicationsOrganic Chemicals
CategoryOrganic Chemicals

Where it is used

Organic Chemicals

Packaging & Supply

Packaging按订单/批次确认(不公开发布)
Purity按批次COA提供(不公开发布)
StorageSealed, cool and dry place
Lead TimeIn stock / per order

Documents & Support

COA provided with every batch; MSDS and technical documents available on request. Email us with product name and CAS number for a quote within one business day.

Frequently Asked Questions

What is the CAS number of 3-Methylxanthine?

The CAS number of 3-Methylxanthine is 1076-22-8.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of 3-Methylxanthine?

Main applications include Organic Chemicals.

How do I buy 3-Methylxanthine or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

3-Methylxanthine · CAS 1076-22-8 · C6H6N4O2. UNII WS6X982OEC. Melting Point: > 300 °C; LogP: -0.50; LogP: -0.72.

Identification

CAS Registry Number1076-22-8
PubChem CID70639
Molecular formulaC6H6N4O2
IUPAC name3-methyl-7H-purine-2,6-dione
UNII (FDA)WS6X982OEC

Computed Descriptors

Molecular Weight166.14
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass166.04907545
Monoisotopic Mass166.04907545
Topological Polar Surface Area78.1
Heavy Atom Count12
Formal Charge0

Physical & Chemical Properties

Melting Point> 300 °C
LogP-0.50
LogP-0.72

Physical description & handling notes

  • Solid
  • 127.59 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
  • 123.79 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
  • 124.48 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
  • 127.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statementsH302 (98.1%)

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Documented Uses

  • 3-Methylxanthine is a known human metabolite of theobromine and theophylline.

Synonyms

3-Methylxanthine; 1076-22-8; 3-methyl-7H-purine-2,6-dione; 3-methyl-3,7-dihydro-1H-purine-2,6-dione; 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; WS6X982OEC; DTXSID90148107; NSC-515466; RefChem:94981; DTXCID8070598; CHEBI:62205; 214-058-1; 2,6-Dihydroxy-3-methylpurine; 3-Methyl-1H-purine-2,6(3H,7H)-dione; 3 MX; Xanthine, 3-methyl-

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Methylxanthine?

CAS 1076-22-8; molecular formula C6H6N4O2; molecular weight — g/mol.

What other names is 3-Methylxanthine known by?

3-Methylxanthine, 1076-22-8, 3-methyl-7H-purine-2,6-dione, 3-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, WS6X982OEC.

Is 3-Methylxanthine classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 3-Methylxanthine?

Melting Point: > 300 °C; LogP: -0.50; LogP: -0.72.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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