Basic information
- CAS
94199-76-5- Standard SMILES
CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
VWRUAUDJNPVQLX-UHFFFAOYSA-J- Molecular formula
- C8H17NNa4O6P2
- Average molar mass
- 377.13 g/mol
- Monoisotopic mass
- 377.01218839
Names & identifiers
- Preferred name
- Tetrasodium ((hexylimino)bis(methylene))bisphosphonate
- IUPAC
- tetrasodium;N,N-bis(phosphonatomethyl)hexan-1-amine
- English name
- tetrasodium [(hexylimino)bis(methylene)]bisphosphonate
- Molecular formula
- C8H17NNa4O6P2
- Molecular weight
- 377.130282
Names & synonyms
94199-76-5Tetrasodium ((hexylimino)bis(methylene))bisphosphonateEINECS 303-450-9TETRASODIUM [(HEXYLIMINO)BIS(METHYLENE)]BISPHOSPHONATEDTXSID10240950RefChem:188875DTXCID40163441303-450-9VWRUAUDJNPVQLX-UHFFFAOYSA-JNS00093331Tetrasodium [(hexylazanediyl)bis(methylene)]bis(phosphonate)[(Hexylimino)bis(methylene)]bis(phosphonic acid)tetrasodium salt
Database identifiers
- CAS
94199-76-5- PubChem CID
- 44153306
- DTXSID
DTXSID10240950- EC Number
- 303-450-9
- Nikkaji
- J319.056K
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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