CAS 54536-15-1

1-methyl-4-[methyl(methylcarbamoyl)amino]-1H-imidazole-5-carboxylic acid

Description:

1-Methyl-4-[methyl(methylcarbamoyl)amino]-1H-imidazole-5-carboxylic acid, with the CAS number 54536-15-1, is a chemical compound characterized by its imidazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a carboxylic acid functional group, contributing to its acidic properties, and a methylcarbamoyl group, which indicates the presence of a methyl group attached to a carbamoyl moiety. The presence of these functional groups suggests that the compound may exhibit both polar and nonpolar characteristics, influencing its solubility in various solvents. Additionally, the imidazole ring is known for its biological significance, often found in various biological molecules, including amino acids and nucleotides. This compound may have potential applications in pharmaceuticals or biochemistry due to its structural features, which could interact with biological systems. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₈H₁₂N₄O₃

InChI: InChI=1/C8H12N4O3/c1-9-8(15)12(3)6-5(7(13)14)11(2)4-10-6/h4H,1-3H3,(H,9,15)(H,13,14)

SMILES: CN=C(N(C)c1c(C(=O)O)n(C)cn1)O

Synonyms:

• 1-Methyl-4-[methyl[(methylamino)carbonyl]amino]-1H-imidazole-5-carboxylic acid
• Caffeine Impurity 1 Ammonium Salt
• 3-methyl-5-[methyl(methylcarbamoyl)amino]imidazole-4-carboxylic acid
• Caffeine Impurity 1 Sodium Salt
• 1H-Imidazole-5-carboxylic acid, 1-methyl-4-[methyl[(methylamino)carbonyl]amino]-
• Caffeidinecarboxylic acid
• sMaller size or Mediate

Caffeine Impurity 1 Ammonium Salt

CAS: 54536-15-1

Formula: C₈H₁₁N₄O₃·NH₄

Color and Shape: White To Off-White Solid

Molecular weight: 211.20 18.04

Ref: 4Z-C-1818

Caffeine Impurity 1 Sodium Salt

CAS: 54536-15-1

Formula: C₈H₁₁N₄O₃·Na

Color and Shape: White To Off-White Solid

Molecular weight: 211.20 22.99

Ref: 4Z-C-188

Sodium 4-[N-Methyl-N-(N-methylaminocarbonyl)amino]-1-methylimidazole-5-carboxylate

Controlled Product

CAS: 54536-15-1

Formula: C₈H₁₁N₄O₃·Na

Color and Shape: Neat

Molecular weight: 234.19

Ref: 86-MM0494.10

Caffeidine Acid Sodium Salt

Controlled Product

CAS: 54536-15-1

Applications Caffeidine Acid is a potential degradation product from the hydrolysis of Caffeine (C080100) under alkaline environment.
References Zubair, U.M., et al.: Anal. Profiles Drug Subs., 15, 71 (1986); Cherrah, Y., et al.: Biochem. Pharmacol., 37, 1311 (1988);

Formula: C₈H₁₁N₄O₃·Na

Color and Shape: Neat

Molecular weight: 234.19

Ref: TR-C080215

Caffeidine Acid

Controlled Product

CAS: 54536-15-1

Applications Caffeidine Acid is a degradation compound of Caffeine (C080100), which is a central nervous system stimulant.
References Kigasawa, K., et al.: Chem. Pharm. Bull., 22, 2448 (1974); Peinhardt, G.: Pharmazie, 46, 812 (1991); Kumar, R., et al.: Carcinogenesis, 13, 2179 (1992);

Formula: C₈H₁₂N₄O₃

Color and Shape: Neat

Molecular weight: 212.21

Ref: TR-C080210

Caffeidine Acid

CAS: 54536-15-1

Formula: C₈H₁₂N₄O₃

Molecular weight: 212.21

Ref: ST-EA-CP-C47007