94277-95-9 Purity
96%
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Specification
The molecular formula is C6H15K2NO6P2.
The molecular weight is 337.33 g/mol.
The IUPAC name is dipotassium;[butyl(phosphonatomethyl)amino]methylphosphonic acid.
The InChI key is INBSPTQLBUWKTK-UHFFFAOYSA-L.
The Canonical SMILES is CCCCN(CP(=O)(O)O)CP(=O)([O-])[O-].[K+].[K+].
The CAS number is 94277-98-2.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 7.
The rotatable bond count is 6.
Yes, it is a canonicalized compound.
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