Heptaammonium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
Basic information
- CAS
94023-23-1- Standard SMILES
O=P([O-])([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]- InChIKey
NDNXEPOGGMDFFG-UHFFFAOYSA-N- Molecular formula
- C10H49N9O12P4
- Average molar mass
- 611.45 g/mol
- Monoisotopic mass
- 611.24511602
Names & identifiers
- Preferred name
- Heptaammonium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
- IUPAC
- heptaazanium;hydron;N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine
Names & synonyms
EINECS 301-620-7Heptaammonium hydrogen (hexane-1,6-diylbis(nitrilobis(methylene)))tetrakisphosphonate94023-23-1DTXSID20240305Heptaammonium hydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonateRefChem:145592DTXCID80162796301-620-7Ammonium hydrogen {hexane-1,6-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate) (7/1/1)
Database identifiers
- CAS
94023-23-1- PubChem CID
- 56841309
- DTXSID
DTXSID20240305- EC Number
- 301-620-7
Properties
Computed structural properties
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 501
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Related reactions
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Compound notes
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