9-Methylxanthine

Base Information

Chemical Name:9-Methylxanthine
CAS No.:1198-33-0
Molecular Formula:C6H6 N4 O2
Molecular Weight:166.139
Hs Code.:2933990090
European Community (EC) Number:214-831-3
NSC Number:4917
UNII:13HCS9N24R
DSSTox Substance ID:DTXSID40152592
Nikkaji Number:J80.086D
Wikidata:Q27251520
Metabolomics Workbench ID:49741
ChEMBL ID:CHEMBL114328
Mol file:1198-33-0.mol

Synonyms:9-Methylxanthine;1198-33-0;9-methyl-3H-purine-2,6-dione;9-methyl-1h-purine-2,6(3h,9h)-dione;3,9-Dihydro-9-methyl-1H-purine-2,6-dione;MFCD00042774;UNII-13HCS9N24R;13HCS9N24R;NSC-4917;EINECS 214-831-3;9-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione;9-methyl-3,9-dihydro-1h-purine-2,6-dione;NSC4917;SCHEMBL10998;XANTHINE, 9-METHYL-;CHEMBL114328;9-Methylxanthine, >=98.0%;DTXSID40152592;CHEBI:137296;NSC 4917;LC-tDDA;CE10;PDSP1_001041;PDSP2_001025;AKOS017343769;CS-0335040;FT-0693003;F30169;6-hydroxy-9-methyl-3,9-dihydro-2H-purin-2-one;A898994;W-200930;Q27251520

Suppliers and Price of 9-Methylxanthine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
9-Methylxanthine
50mg
$ 130.00

TRC
9-Methylxanthine
10mg
$ 60.00

TRC
9-Methylxanthine
5mg
$ 45.00

Sigma-Aldrich
9-Methylxanthine ≥98.0%
1g
$ 929.00

Crysdot
9-Methyl-1H-purine-2,6(3H,9H)-dione 97%
1g
$ 1843.00

Chemenu
9-Methyl-1H-purine-2,6(3H,9H)-dione 97%
1g
$ 1736.00

American Custom Chemicals Corporation
9-METHYLXANTHINE 95.00%
100MG
$ 650.33

AK Scientific
9-Methylxanthine
1g
$ 1873.00

Total 12 raw suppliers

Chemical Property of 9-Methylxanthine

Chemical Property:

Melting Point:>300 °C
Boiling Point:°Cat760mmHg
PKA:pK1:6.25 (25°C)
Flash Point:°C
PSA：83.54000
Density:1.83g/cm³
LogP:-1.05010
Solubility.:0.1 M NaOH: soluble
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:166.04907545
Heavy Atom Count:12
Complexity:242

Purity/Quality:

97% ^*data from raw suppliers

9-Methylxanthine ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+
Hazard Codes:T+
Statements: 26/27/28
Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CN1C=NC2=C1NC(=O)NC2=O

Technology Process of 9-Methylxanthine

There total 6 articles about 9-Methylxanthine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: