Phosphohomocyclocreatine
[CAS# 84744-77-4]

Identification

• Name: Phosphohomocyclocreatine
• Synonyms: 3-(2-Imino-3-Phosphono-Imidazolidin-1-Yl)Propanoic Acid; 3-(2-Imino-3-Phosphono-1-Imidazolidinyl)Propanoic Acid; 3-(2-Imino-3-Phosphono-Imidazolidin-1-Yl)Propionic Acid
• Molecular Formula: C₆H₁₂N₃O₅P
• Molecular Weight: 237.15
• CAS Registry Number: 84744-77-4
• SMILES: C(N1C(N([P](=O)(O)O)CC1)=N)CC(=O)O
• InChI: 1S/C6H12N3O5P/c7-6-8(2-1-5(10)11)3-4-9(6)15(12,13)14/h7H,1-4H2,(H,10,11)(H2,12,13,14)
• InChIKey: WRNVNPUKSMJQPN-UHFFFAOYSA-N

Properties

• Density: 1.883g/cm³ (Cal.)
• Boiling point: 486.408°C at 760 mmHg (Cal.)
• Flash point: 247.971°C (Cal.)