Diammonium tetrahydrogen [nitrilotris(methylene)]trisphosphonate
Basic information
- CAS
4532-21-2- Standard SMILES
O=P([O-])([O-])CN(CP(=O)(O)O)CP(=O)(O)O.[NH4+].[NH4+]- InChIKey
UJWIANNBICCRFG-UHFFFAOYSA-N- Molecular formula
- C3H18N3O9P3
- Average molar mass
- 333.11 g/mol
- Monoisotopic mass
- 333.02559015
Names & identifiers
- Preferred name
- Diammonium tetrahydrogen [nitrilotris(methylene)]trisphosphonate
- IUPAC
- diazanium;[phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
- English name
- diammonium tetrahydrogen [nitrilotris(methylene)]trisphosphonate
- Molecular formula
- C3H18N3O9P3
- Molecular weight
- 333.111003
Names & synonyms
4532-21-2EINECS 224-869-2Diammonium tetrahydrogen (nitrilotris(methylene))trisphosphonateDiammonium tetrahydrogen [nitrilotris(methylene)]trisphosphonateDTXSID80196475RefChem:132644DTXCID90118966224-869-2Diammonium {[bis(phosphonomethyl)amino]methyl}phosphonate
Database identifiers
- CAS
4532-21-2- PubChem CID
- 6452028
- DTXSID
DTXSID80196475- EC Number
- 224-869-2
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
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Related reactions
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Compound notes
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