CAS
94277-97-1 Purity
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94277-97-1 Purity
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Specification
The molecular formula is C6H13K4NO6P2.
It was created on 2009-08-20.
The molecular weight is 413.51 g/mol.
The IUPAC name is tetrapotassium;N,N-bis(phosphonatomethyl)butan-1-amine.
The Canonical SMILES is CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].
The CAS number is 94278-00-9.
It has 7 hydrogen bond acceptors.
The topological polar surface area is 130 Ų.
It has 5 rotatable bond counts.
Yes, the compound is canonicalized.