94277-91-5 Purity
96%
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Specification
The molecular formula is C9H19K4NO6P2.
The molecular weight is 455.59 g/mol.
It was first created on July 12, 2012.
The IUPAC name is tetrapotassium; N,N-bis(phosphonatomethyl)heptan-1-amine.
The InChIKey is HBXALUHSXSGYDT-UHFFFAOYSA-J.
The Canonical SMILES is CCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].
The CAS number is 94277-95-9.
It has 7 hydrogen bond acceptor count.
The topological polar surface area is 130 Ų.
Yes, the compound is canonicalized.