creatinine

Base Information

• Chemical Name: creatinine
• CAS No.: 60-27-5
• Molecular Formula: C4H7N3O
• Molecular Weight: 113.119
• Hs Code.: 29332990
• European Community (EC) Number: 200-466-7
• NSC Number: 760435,13123
• UNII: AYI8EX34EU
• Nikkaji Number: J1.397H
• Wikipedia: Creatinine
• NCI Thesaurus Code: C399
• RXCUI: 2913
• ChEMBL ID: CHEMBL65567
• Mol file: 60-27-5.mol

Synonyms:Creatinine;Creatinine Sulfate Salt;Krebiozen;Salt, Creatinine Sulfate;Sulfate Salt, Creatinine

Chemical Property of creatinine

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 295 °C (dec.)(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 201.1oC
• PKA: 4.83(at 25℃)
• Flash Point: 290 °C
• PSA: 58.69000
• Density: 1.474 g/cm³
• LogP: -1.15310
• Storage Temp.: 2-8°C
• Solubility.: 1 M HCl: 0.1 g/mL at 20 °C, clear
• Water Solubility.: SOLUBLE
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.058911855
• Heavy Atom Count: 8
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Creatinine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 26-36/37/39-45-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Other Biomolecules
• Canonical SMILES: CN1CC(=O)N=C1N
• Recent ClinicalTrials: Lower Urinary Tract Dysfunction in Chronic Chagas' Disease : Clinical and Urodynamic Presentation
• Recent NIPH Clinical Trials: ADMIT-NeP Study
• General Description: Creatinine is a metabolic byproduct of muscle metabolism, commonly measured in urine to assess kidney function. The study highlights a novel method for its direct determination in urine using MALDI-TOF MS with a selective matrix (DHPT), demonstrating high sensitivity and efficiency compared to traditional techniques. This approach simplifies creatinine quantification, enabling rapid and high-throughput analysis.

Technology Process of creatinine

There total 47 articles about creatinine 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: 90.0%

C5H8N2O2 (1414382-33-4) → creatinine (60-27-5)

Guidance literature:

With ammonium hydroxide; In neat (no solvent); at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1016/j.tetlet.2012.09.057

Reference yield:

C19H19N5O3*C2HF3O2 → creatinine (60-27-5) + phenythoin (57-41-0)

Guidance literature:

In methanol; aq. phosphate buffer; acetonitrile; at 37 ℃; for 1h; pH=7.4;

DOI:10.1016/j.bmcl.2016.02.060

Reference yield:

C21H23N3O6 (1442662-13-6) → creatinine (60-27-5)

Guidance literature:

With 5%-palladium/activated carbon; In methanol; at 20 ℃; for 1h;

upstream raw materials:

sarcosine

guanidine hydrogen carbonate

Sarcosine ethyl ester

CYANAMID

Downstream raw materials:

(1-methylguanidino)glyoxylic acid

Creatinine

1-methyldiazolidine-2,4-dione

(E)-2-amino-1-methyl-5-(2-nitrobenzylidene)-2-imidazolin-4-one

Refernces

2,3,4,5-Tetrakis(3′,4′-dihydroxylphenyl)thiophene: A new matrix for the selective analysis of low molecular weight amines and direct determination of creatinine in urine by MALDI-TOF MS

10.1021/ac3021278

The research focuses on the development and application of a new matrix, 2,3,4,5-tetrakis(3′,4′-dihydroxylphenyl)thiophene (DHPT), for the selective analysis of low molecular weight amines and the direct determination of creatinine in urine using MALDI-TOF MS. The study details the design, synthesis, and application of DHPT, which demonstrates good selectivity and a low limit-of-detection in positive ion mode. Experiments involved the analysis of various amines, including amino acids, peptides, vitamins B, β-agonists, and other compounds, using DHPT as the matrix. The research also includes the direct analysis of metabolites in human urine, with the identity of these metabolites confirmed by tandem mass spectrometry. Additionally, a quantitative determination of urine creatinine using an isotope-labeled internal standard was performed, showcasing the method's simplicity, rapidness, and high-throughput capabilities compared to other analytical methods. The reactants used in the synthesis of DHPT and in the preparation of matrix and sample solutions are detailed in the experimental section, along with the mass spectrometry analysis parameters and procedures.

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