Basic information
- CAS
67924-19-0- Standard SMILES
O=P([O-])([O-])OCN(CCCCCCN(COP(=O)([O-])[O-])COP(=O)([O-])O)COP(=O)([O-])O.OCCN(CCO)CCO.OCCN(CCO)CCO.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]- InChIKey
GTKDRIHQODVPOI-UHFFFAOYSA-N- Molecular formula
- C22H76N10O22P4
- Average molar mass
- 956.8 g/mol
- Monoisotopic mass
- 956.40861208
Names & identifiers
- Preferred name
- Phosphonic acid, P,P',P'',P'''-(1,6-hexanediylbis(nitrilobis(methylene)))tetrakis-, ammonium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:6)
- IUPAC
- hexaazanium;bis(2-[bis(2-hydroxyethyl)amino]ethanol);[[hydroxy(oxido)phosphoryl]oxymethyl-[6-[[hydroxy(oxido)phosphoryl]oxymethyl-(phosphonatooxymethyl)amino]hexyl]amino]methyl phosphate
Names & synonyms
EINECS 267-804-367924-19-0DTXSID80889895Phosphonic acid, (hexamethylenebis(nitrilodimethylene))tetra-, hexaammonium, di(triethanolamine) saltRefChem:173586DTXCID201031416Ammonium 1-hydroxy-11-{[(hydroxyphosphinato)oxy]methyl}-1-oxido-1-oxo-4-[(phosphonatooxy)methyl]-2-oxa-4,11-diaza-1lambda~5~-phosphadodecan-12-yl phosphate--2,2',2''-nitrilotri(ethan-1-ol) (6/1/2)Hexaammonium dihydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonate, compound with 2,2',2''-nitrilotris(ethanol) (1:2)
Database identifiers
- CAS
67924-19-0- PubChem CID
- 172004
- DTXSID
DTXSID80889895- EC Number
- 267-804-3
Properties
Computed structural properties
- Topological polar surface area
- 424 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 29
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 682
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P,P',P'',P'''-[1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-, ammonium salt, compd. with 2,2',2''-nitrilotris[ethanol] (1:2:6): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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