94107-65-0 Purity
96%
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The molecular formula of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is C10H29N3O7P2.
The molecular weight of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is 365.30 g/mol.
The IUPAC Name of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is diazanium;(5-octyl-2-oxo-1,3,5,2λ 5 -dioxazaphosphinan-2-yl) phosphate.
The InChI code of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is InChI=1S/C10H23NO7P2.2H3N/c1-2-3-4-5-6-7-8-11-9-16-20(15,17-10-11)18-19(12,13)14;;/h2-10H2,1H3,(H2,12,13,14);2*1H3.
The InChIKey of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is PZOMAUSGOJBKIF-UHFFFAOYSA-N.
The canonical SMILES of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is CCCCCCCCN1COP(=O)(OC1)OP(=O)([O-])[O-].[NH4+].[NH4+].
There are 2 hydrogen bond donor counts in Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate.
There are 8 hydrogen bond acceptor counts in Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate.
There are 8 rotatable bond counts in Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate.
The topological polar surface area of Diammonium dihydrogen[(octylimino)bis(methylene)]bisphosphate is 113.2.