Sodium [(E)-amino(N''-benzylcarbamimidamido)methylene]phosphoramidate hydrate (2:1:1)
[CAS# 35282-33-8]

Identification

• Name: Sodium [(E)-amino(N''-benzylcarbamimidamido)methylene]phosphoramidate hydrate (2:1:1)
• Synonyms: Benfosformin
• Molecular Formula: C₉H₁₄N₅Na₂O₄P
• Molecular Weight: 333.19
• CAS Registry Number: 35282-33-8
• SMILES: [Na+].[Na+].[O-]P([O-])(=O)/N=C(\N)NC(=N/Cc1ccccc1)/N.O
• InChI: 1S/C9H14N5O3P.2Na.H2O/c10-8(13-9(11)14-18(15,16)17)12-6-7-4-2-1-3-5-7;;;/h1-5H,6H2,(H7,10,11,12,13,14,15,16,17);;;1H2/q;2*+1;/p-2
• InChIKey: HFSIAOCWRILWLY-UHFFFAOYSA-L

Properties

• Boiling point: 539.6°C at 760 mmHg (Cal.)
• Flash point: 280.1°C (Cal.)