CAS
94107-61-6 Purity
96%
94107-61-6 Purity
96%
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The molecular formula is C8H27N3O6P2.
The molecular weight is 323.26 g/mol.
The IUPAC name is diazanium;[hexyl(phosphonatomethyl)amino]methylphosphonic acid.
The InChIKey is AGWOZOMWEWMBHP-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCN(CP(=O)(O)O)CP(=O)([O-])[O-].[NH4+].[NH4+].
The CAS number is 94107-70-7.
There are 4 hydrogen bond donor counts.
There are 7 hydrogen bond acceptor counts.
The exact mass is 323.13750958 g/mol.
Yes, the compound is canonicalized.