94021-25-7 Purity
96%
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Specification
The molecular formula of Hexaammonium[nitrilotris(methylene)]trisphosphonate is C3H30N7O9P3.
The molecular weight of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 401.23 g/mol.
The IUPAC name of Hexaammonium[nitrilotris(methylene)]trisphosphonate is hexaazanium;1-phosphonato-N,N-bis(phosphonatomethyl)methanamine.
The InChIKey of Hexaammonium[nitrilotris(methylene)]trisphosphonate is FUYQFCQZVFXZBQ-UHFFFAOYSA-N.
The canonical SMILES representation of Hexaammonium[nitrilotris(methylene)]trisphosphonate is C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
The CAS number of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 94021-28-0.
There are 6 hydrogen bond donor counts in Hexaammonium[nitrilotris(methylene)]trisphosphonate.
There are 10 hydrogen bond acceptor counts in Hexaammonium[nitrilotris(methylene)]trisphosphonate.
The topological polar surface area of Hexaammonium[nitrilotris(methylene)]trisphosphonate is 199?2.
Yes, the compound is canonicalized according to PubChem.