1-Methylxanthine

Also known as: 1-Methyl Xanthine, 1-Methyl-3,7-dihydro-1H-purine-2,6-dione, 1-methyl-3,7-dihydropurine-2,6-dione, 1-methyl-7H-xanthine, 1-methyl-xanthin, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-, 2,6-DIHYDROXY-1-METHYLPURINE, 3,7-dihydro-1-methyl-1H-purine-2,6-dione, Xanthine, 1-methyl-, MFCD00005561, EINECS 228-108-5

1-Methylxanthine (CAS 6136-37-4) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C6H6N4O2 and a molecular weight of 166.137 g/mol. Key properties include a melting point of ≥300 °C and a density of 1.5±0.1 g/cm3. No supplier offers are currently listed; request a quote. Record last updated Nov 3, 2026.

CAS No.: 6136-37-4
Jingsj CID: J-1993351-8
Molecular Formula: C₆H₆N₄O₂
Molecular Weight: 166.137 g/mol
Category: Pharma Intermediates
Last updated: 11/3/2026

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Physicochemical Properties

Melting Point	≥300 °C
Density	1.5±0.1 g/cm3
Exact Mass	166.049072
PSA	83.54000
LogP	-1.52
Refractive Index	1.627
Storage Conditions	-20°C Freezer

Activity & Biological Data

Target	Human Endogenous Metabolite
Additional Information	[1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203. [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74.

Customs & Trade Information

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of 1-Methylxanthine?

The CAS number of 1-Methylxanthine is 6136-37-4.

What are the molecular formula and molecular weight of 1-Methylxanthine?

1-Methylxanthine has molecular formula C6H6N4O2 and molecular weight 166.137 g/mol.

What are the upstream and downstream products of 1-Methylxanthine?

For 1-Methylxanthine, Upstream Products: 6-Amino-3-methyluracil, Methanimidic acid, (Z)-, 6-amino-5-nitroso-3-methyluracil; Downstream Products: Urea, Theophylline, 1-Methyluric acid.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 11/3/2026

How to cite: Jingsj. "1-Methylxanthine (CAS 6136-37-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1993351-8 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.