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HomeProduct name list1-METHYLXANTHINE

1-METHYLXANTHINE

Synonym(s):2,6-Dihydroxy-1-methylpurine

  • CAS NO.:6136-37-4
  • Empirical Formula: C6H6N4O2
  • Molecular Weight: 166.14
  • MDL number: MFCD00005561
  • EINECS: 228-108-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-20 11:41:24
1-METHYLXANTHINE Structural

What is 1-METHYLXANTHINE?

Chemical properties

Faint Yellow Solid

The Uses of 1-METHYLXANTHINE

A metabolite of Theophylline.

What are the applications of Application

1-Methyl Xanthine is a metabolite of Theophylline

Definition

ChEBI: A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position.

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.]

Properties of 1-METHYLXANTHINE

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.)
BRN  171507
CAS DataBase Reference 6136-37-4(CAS DataBase Reference)

Safety information for 1-METHYLXANTHINE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1-METHYLXANTHINE

InChIKey MVOYJPOZRLFTCP-UHFFFAOYSA-N

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