Creatinolfosfate

Base Information

• Chemical Name: Creatinolfosfate
• CAS No.: 6903-79-3
• Deprecated CAS: 860497-46-7,874098-09-6
• Molecular Formula: C4H12N3O4P
• Molecular Weight: 197.131
• Hs Code.: 2925290090
• European Community (EC) Number: 230-011-8
• UNII: 5O564RN1QD
• DSSTox Substance ID: DTXSID50219100
• Nikkaji Number: J8.862E
• Wikipedia: Creatinolfosfate
• Wikidata: Q6598844
• NCI Thesaurus Code: C77832
• Metabolomics Workbench ID: 153942
• ChEMBL ID: CHEMBL2104114
• Mol file: 6903-79-3.mol

Synonyms:Aplodan;creatinol phosphate;creatinol phosphate, magnesium salt (2:1);creatinol-O-phosphate;creatinolfosfat;N-(2-hydroxyethyl)-N-methylguanidine dihydrogen phosphate

Chemical Property of Creatinolfosfate

Chemical Property:

• Vapor Pressure: 5.78E-07mmHg at 25°C
• Melting Point: 244 °C(dec.)
• Refractive Index: 1.574
• Boiling Point: 384.1 °C at 760 mmHg
• PKA: 1.84±0.10(Predicted)
• Flash Point: 186.1 °C
• PSA: 129.68000
• Density: 1.65 g/cm³
• LogP: -0.27900
• Storage Temp.: -20°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 197.05654287
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Hydroxyethyl)-1-methylguanidinedihydrogenphosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCOP(=O)(O)O)C(=N)N
• Therapeutic Function: Cardiotonic

Technology Process of Creatinolfosfate

There total 2 articles about Creatinolfosfate 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:

C8H22N6O7P2 → Aplodan (6903-79-3)

Guidance literature:

With water; at 90 ℃; for 5h;

Reference yield:

→ Aplodan (6903-79-3)

Guidance literature:

Creatinol*HBr, POCl3,H2O;

Refernces