CAS Number552-62-5
Synonyms7-Methyl-3,7-dihydro-1H-purine-2,6-dione; 7-Methylxanthine; EINECS 209-019-0; MFCD00037979; 7-methyl-3H-purine-2,6-dione
Molecular FormulaC6H6N4O2
Molecular Weight166.14
Purity98.00%
Density1.8±0.1 g/cm3
Melting Point300ºC
EINECS209-019-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 552-62-5 |
| Catalog No. | 2A-9022837 |
| Chinese Name | 7-甲基黄嘌呤 |
| Synonyms | 7-Methyl-3,7-dihydro-1H-purine-2,6-dione; 7-Methylxanthine; EINECS 209-019-0; MFCD00037979; 7-methyl-3H-purine-2,6-dione |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 |
| Purity | 98.00 |
| Density | 1.8±0.1 g/cm3 |
| Melting Point | 300ºC |
| Water Solubility | Soluble in dimethyl sulfoxide. Insoluble in water. |
| Storage Condition | Store in a cool, dry and sealed container. |
| Application | 7-Methylxanthine, the methyl derivative of xanthine, is one of the purine components of human urinary stones. |
| EINECS | 209-019-0 |
| HTC | 2933990090 |
| MDL Number | MFCD00037979 |
| SMILES | Cn1cnc2NC(=O)NC(=O)c12 |
| InChI | 1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
| InChI Key | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Beilstein/REAXYS | 171027 |
| NACRES Code | NA.24 |
| UNSPSC | 41106305 |
| Hazard Symbols | Transport |
| MSDS | msds/22837_1_552_62_5.pdf |
| Bioactivity | 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi. Related Catalog Research Areas >> Metabolic Disease Natural Products >> Saccharides and Glycosides Target Human Endogenous Metabolite References [1]. Caubet MS, et al. Determination of urinary 13C-caffeine metabolites by liquid chromatography-mass spectrometry: the use of metabolic ratios to assess CYP1A2 activity. J Pharm Biomed Anal. 2004 Feb 4;34(2):379-89. Chemical & Physical Properties Density 1.8±0.1 g/cm3 Melting Point 300ºC Molecular Formula C6H6N4O2 Molecular Weight 166.137 Exact Mass 166.049072 PSA 83.54000 LogP -0.89 Index of Refraction 1.827 InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N SMILES Cn1cnc2[nH]c(=O)[nH]c(=O)c21 Water Solubility Soluble in dimethyl sulfoxide. Insoluble in water. |
| Use of | 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi. Properties Name 7-methylxanthine Synonym More Synonyms 7-Methylxanthine Biological Activity Description 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi. Related Catalog Research Areas >> Metabolic Disease Natural Products >> Saccharides and Glycosides Human Endogenous Metabolite References Chemical & Physical Properties Molecular Formula C6H6N4O2 Exact Mass 166.049072 PSA 83.54000 LogP -0.89 Index of Refraction 1.827 InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N Water Solubility Soluble in dimethyl sulfoxide. Insoluble in water. |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| Liquiritin | 551-15-5 | 2A-9022825 |
| 2-Methylbenzyl chloride | 552-45-4 | 2A-9022833 |
| 1-Naphthylamine hydrochloride | 552-46-5 | 2A-9022834 |
| Eriodictyol | 552-58-9 | 2A-9022835 |
| Prunetin | 552-59-0 | 2A-9022836 |
| 2,2'-Furoin | 552-86-3 | 2A-9022841 |
| Sasapyrine | 552-94-3 | 2A-9022843 |
| 1,2,3,4-Tetrahydroquinolin-2-one | 553-03-7 | 2A-9022844 |
| Protoporphyrin IX | 553-12-8 | 2A-9022845 |
| Guaiacol carbonate | 553-17-3 | 2A-9022846 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS