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Benfosformin
[CAS# 52658-53-4]

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Identification
Name Benfosformin
Synonyms Disodium 1-[(E)-Amino-Phosphonatoiminomethyl]-2-(Phenylmethyl)Guanidine Hydrate; Disodium 2-(Benzyl)-1-(N'-Phosphonatocarbamimidoyl)Guanidine Hydrate; Benfosformin
Molecular Structure CAS#: 52658-53-4, 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.)
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