| Identification | Back Directory | [Name]
7-METHYLXANTHINE | [CAS]
552-62-5 | [Synonyms]
NSC 7861
Heteroxanthin
HETEROXANTHINE
7-Methylxantine
7-methyl-xanthin
7-METHYLXANTHINE
7-METHYLXANTHINE USP/EP/BP
2,6-DIHYDROXY-7-METHYLPURINE
7-methyl-3H-purine-2,6-dione
Theophylline EP Impurity IH B
7-Methylxanthine >=98.0% (HPLC)
7-Methyl-1H-purine-2,6(3H,7H)-dione
7-METHYLXANTHINE XANTHINE DERIVATIVE
3,7-dihydro-7-methyl-1h-purine-6-dione
3,7-dihydro-7-methyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-
2,6-Dihydroxy-7-methylpurine, Heteroxanthine | [EINECS(EC#)]
209-019-0 | [Molecular Formula]
C6H6N4O2 | [MDL Number]
MFCD00037979 | [MOL File]
552-62-5.mol | [Molecular Weight]
166.14 |
| Chemical Properties | Back Directory | [Melting point ]
≥300 °C
| [density ]
1.83±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
DMSO (Slightly, Heated), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
pK1:8.33;pK2:ca;pK3:13 (25°C) | [color ]
Light Brown to Light Grey | [Water Solubility ]
Soluble in dimethyl sulfoxide. Insoluble in water. | [BRN ]
171027 | [Cosmetics Ingredients Functions]
NOT REPORTED | [InChI]
1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) | [InChIKey]
PFWLFWPASULGAN-UHFFFAOYSA-N | [SMILES]
Cn1cnc2NC(=O)NC(=O)c12 |
| Hazard Information | Back Directory | [Chemical Properties]
Grey Solid | [Uses]
Metabolite of Theophylline and Caffeine. | [Definition]
ChEBI: An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine. | [General Description]
7-Methylxanthine is an oxopurine, which belongs to the class of xanthines. It may be synthesized by the reaction between 4-amino-1-methylimidazole-5-carboxamide and diethyl carbonate. | [Purification Methods]
Crystallise it from water. [Beilstein 26 II 263, 26 III/IV 2330.] |
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
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Alfa Aesar
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Energy Chemical
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www.energy-chemical.com |
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Sigma-Aldrich
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