Cyclocreatine

Base Information

• Chemical Name: Cyclocreatine
• CAS No.: 35404-50-3
• Molecular Formula: C5H9N3O2
• Molecular Weight: 143.145
• Hs Code.: 2933990090
• European Community (EC) Number: 624-448-7
• NSC Number: 707961
• UNII: 6732XGX1RK
• DSSTox Substance ID: DTXSID70188889
• Nikkaji Number: J545.181G
• Wikidata: Q27076942
• ChEMBL ID: CHEMBL179900
• Mol file: 35404-50-3.mol

Synonyms:cyclocreatine

Chemical Property of Cyclocreatine

Chemical Property:

• Vapor Pressure: 7.83E-06mmHg at 25°C
• Melting Point: 322-326?C
• Refractive Index: 1.659
• Boiling Point: 350 °C at 760 mmHg
• Flash Point: 165.5 °C
• PSA: 76.42000
• Density: 1.56 g/cm³
• LogP: -0.72260
• Storage Temp.: -20°C Freezer
• Solubility.: 1 M HCl: soluble25mg/mL, clear, colorless
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.069476538
• Heavy Atom Count: 10
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclocreatine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(C(=N1)N)CC(=O)O
• Uses: Cyclocreatine is used to regulate creatine biosynthesis by suppressing the level of arginine:glycine amidinotransferase in chick liver.

Technology Process of Cyclocreatine

There total 4 articles about Cyclocreatine 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: 58.0%

CYANAMID (420-04-2) + N-(2-Aminoethyl)glycine (24123-14-6) → 1-carboxymethyl-2-iminoimidazolidine (35404-50-3)

Guidance literature:

In water; at 70 ℃; for 27.5h; Temperature;

Reference yield:

1-carboxymethyl-3-benzyl-2-iminoimidazolidine (63784-10-1) → 1-carboxymethyl-2-iminoimidazolidine (35404-50-3)

Guidance literature:

With sodium; In water; Product distribution / selectivity;

Reference yield:

→ 1-carboxymethyl-2-iminoimidazolidine (35404-50-3)

Guidance literature:

N-Carboxymethyl-1,2-diaminoethan, BrCN;

DOI:10.1021/ja00750a038

upstream raw materials:

1-carboxymethyl-3-benzyl-2-iminoimidazolidine

CYANAMID

N-(2-Aminoethyl)glycine

Refernces

• 1、 -. "SYNTHESIS OF CYCLOCREATINE AND ANALOGS THEREOF". Paragraph 0043. . Retrieved 2016/09/26.
• 2、 -. "Methods and compositions for diagnosing and treating arthritic disorders and regulating bone mass". Page/Page column 31. . Retrieved 2008/06/13.