| Identification | More | [Name]
1-METHYLXANTHINE | [CAS]
6136-37-4 | [Synonyms]
METHYLXANTHINES
1-METHYLXANTHINE
1-methyl-xanthin
Xanthine, 1-methyl-
1-Methyl Xanthine 1
1-Methylxanthine>
1-methyl-7H-xanthine
1-Methylxanthine ,98%
3,9-Dihydro-1-Methyl-
1-Methylxanthine-[13C,2H3]
2,6-DIHYDROXY-1-METHYLPURINE
Theophylline EP Impurity IH A
1-Methylxanthine >=97.0% (HPLC)
1-Methyl-1H-purine-2,6(3H,7H)-dione
1-Methyl-7H-purine-2,6(1H,3H)-dione
1-Methyl-3,7-dihydro-purine-2,6-dione
3,7-dihydro-1-methyl-1H-purine-2,6-dione
1-Methyl-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-
1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-
1-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1-methyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione/1-Methylxanthine | [EINECS(EC#)]
228-108-5 | [Molecular Formula]
C6H6N4O2 | [MDL Number]
MFCD00005561 | [Molecular Weight]
166.14 | [MOL File]
6136-37-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Faint Yellow Solid | [Melting point ]
≥300 °C | [density ]
1.539±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Aqueous Base (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
pK1:7.70;pK2:12.0 (25°C) | [color ]
Pale Yellow to Dark Yellow | [λmax]
270nm(H2O)(lit.) | [Detection Methods]
HPLC | [BRN ]
171507 | [InChI]
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) | [InChIKey]
MVOYJPOZRLFTCP-UHFFFAOYSA-N | [SMILES]
N1C2=C(NC(=O)N(C)C2=O)NC=1 | [CAS DataBase Reference]
6136-37-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T+ | [Risk Statements ]
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
ZD8575000
| [HS Code ]
29335990 |
| Hazard Information | Back Directory | [Chemical Properties]
Faint Yellow Solid | [Uses]
A metabolite of Theophylline. | [Definition]
ChEBI: A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position. | [storage]
Store at -20°C | [Purification Methods]
Crystallise it from water. It has UV: at 266nm (pH 2.08), 242.5 and max 276nm (pH 9). [Beilstein 26 II 263, 26 III/IV 2329.] |
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