Basic information
- CAS
68901-17-7- Standard SMILES
O=P([O-])([O-])OCN(CCN(COP(=O)([O-])[O-])COP(=O)([O-])[O-])COP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]- InChIKey
GHGNKSYLWFCTJW-UHFFFAOYSA-N- Molecular formula
- C6H44N10O16P4
- Average molar mass
- 636.37 g/mol
- Monoisotopic mass
- 636.18872334
Names & identifiers
- Preferred name
- Octaammonium (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonate
- IUPAC
- octaazanium;[2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate
Names & synonyms
68901-17-7EINECS 272-659-4Octaammonium (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonatePhosphonic acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, octaammonium saltPhosphonic acid, P,P',P'',P'''-(1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, ammonium salt (1:8)Phosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, ammonium salt (1:8)DTXSID60890005Octaammonium [(ethane-1,2-diyl)bis(nitrilo)bis(methylene)] tetrakis(phosphate)
Database identifiers
- CAS
68901-17-7- PubChem CID
- 173129
- DTXSID
DTXSID60890005- EC Number
- 272-659-4
Properties
Computed structural properties
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 493
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, octaammonium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, ammonium salt (1:8): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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