Benfosformin
[CAS# 52658-53-4]

Identification

• Name: Benfosformin
• Synonyms: Disodium 1-[(E)-Amino-Phosphonatoiminomethyl]-2-(Phenylmethyl)Guanidine Hydrate; Disodium 2-(Benzyl)-1-(N'-Phosphonatocarbamimidoyl)Guanidine Hydrate; Benfosformin
• Molecular Formula: C₉H₁₄N₅Na₂O₄P
• Molecular Weight: 333.19
• CAS Registry Number: 52658-53-4
• SMILES: C1=C(CN=C(NC(=N[P]([O-])([O-])=O)N)N)C=CC=C1.[Na+].[Na+].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.)