1-Methylhydantoin

• CAS: 616-04-6
• Catalog Number: ACM616046
• Category: Other Products
• Molecular Weight: 114.1
• Molecular Formula: C4H6N2O2
• Synonyms: Dioxy-creatinine
• IUPAC Name: 1-Methylimidazolidine-2,4-dione
• SMILES: CN1CC(=O)NC1=O
• InChI: InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
• InChI Key: RHYBFKMFHLPQPH-UHFFFAOYSA-CN1CC(=O)NC1=O
• Boiling Point: 213.59 °C
• Melting Point: 156-157 °C(lit.)
• Density: 1.284 g/cm³
• Solubility: Soluble in methanol, insoluble in water
• Appearance: White to off-white solid
• Storage: Sealed in dry, room temperature
• Complexity: 143
• EC Number: 210-460-6
• Exact Mass: 114.042927438
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Monoisotopic Mass: 114.042927438
• pKa: 8.94±0.10(Predicted)
• Refractive Index: 1.4487
• Safety Description: S24/25
• Topological Polar Surface Area: 49.4 Ų
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 60-27-5

• 616-04-6

Reference: [1]Zeitschrift fur Biologie (Munich),vol. 62,p. 208
[2]Justus Liebigs Annalen der Chemie,1866,vol. 137,p. 294
[3]Journal of Biological Chemistry,1926,vol. 69,p. 615,618
[4]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1914,vol. 89,p. 454
[5]Journal of the Indian Chemical Society,1994,vol. 71,p. 401 - 408

Upstream Synthesis Route 2

• 57-00-1

• 616-04-6

Reference: [1]Justus Liebigs Annalen der Chemie,1866,vol. 137,p. 294

Downstream Synthesis Route 1

• 616-04-6
• 4143-61-7
• 19819-98-8

• 96040-47-0

Reference: [1]Journal of Organic Chemistry,1985,vol. 50,p. 1884 - 1888

* For details of the synthesis route, please refer to the original source to ensure accuracy.