Phosphocyclocreatine
[CAS# 61839-19-8]

Identification

• Name: Phosphocyclocreatine
• Synonyms: 2-(2-Imino-3-Phosphono-Imidazolidin-1-Yl)Acetic Acid; 2-(2-Imino-3-Phosphono-1-Imidazolidinyl)Acetic Acid; 2-(2-Imino-3-Phosphono-Imidazolidin-1-Yl)Ethanoic Acid
• Molecular Formula: C₅H₁₀N₃O₅P
• Molecular Weight: 223.12
• CAS Registry Number: 61839-19-8
• SMILES: C(N1C(N([P](=O)(O)O)CC1)=N)C(=O)O
• InChI: 1S/C5H10N3O5P/c6-5-7(3-4(9)10)1-2-8(5)14(11,12)13/h6H,1-3H2,(H,9,10)(H2,11,12,13)
• InChIKey: CUPWIVAPVWUAHI-UHFFFAOYSA-N

Properties

• Density: 2.032g/cm³ (Cal.)
• Boiling point: 481.043°C at 760 mmHg (Cal.)
• Flash point: 244.726°C (Cal.)