94277-90-4 Purity
96%
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Specification
The molecular formula is C8H19K2NO6P2.
The synonyms are DTXSID50915791 and Dipotassium {[hexyl(phosphonomethyl)amino]methyl}phosphonate.
The molecular weight is 365.38 g/mol.
The parent compound is CID 80096 (Phosphonic acid, [(hexylimino)bis(methylene)]bis-).
The component compounds are CID 5462222 (Potassium) and CID 80096 (Phosphonic acid, [(hexylimino)bis(methylene)]bis-).
The IUPAC name is dipotassium;[hexyl(phosphonatomethyl)amino]methylphosphonic acid.
The InChI is InChI=1S/C8H21NO6P2.2K/c1-2-3-4-5-6-9(7-16(10,11)12)8-17(13,14)15;;/h2-8H2,1H3,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2.
The InChIKey is WVBWSJHNYYSQPK-UHFFFAOYSA-L.
The canonical SMILES is CCCCCCN(CP(=O)(O)O)CP(=O)([O-])[O-].[K+].[K+].
The CAS number is 94277-94-8.