Diammonium dihydrogen (((3,5,5-trimethylhexyl)imino)bis(methylene))bisphosphonate
Basic information
- CAS
94107-74-1- Standard SMILES
CC(CCN(CP(=O)([O-])[O-])CP(=O)(O)O)CC(C)(C)C.[NH4+].[NH4+]- InChIKey
PIYLVOZEPSGBOJ-UHFFFAOYSA-N- Molecular formula
- C11H33N3O6P2
- Average molar mass
- 365.34 g/mol
- Monoisotopic mass
- 365.18445978
Names & identifiers
- Preferred name
- Diammonium dihydrogen (((3,5,5-trimethylhexyl)imino)bis(methylene))bisphosphonate
- IUPAC
- diazanium;[phosphonatomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid
Names & synonyms
94107-74-1EINECS 302-309-9Diammonium dihydrogen (((3,5,5-trimethylhexyl)imino)bis(methylene))bisphosphonate
Database identifiers
- CAS
94107-74-1- PubChem CID
- 44153125
- EC Number
- 302-309-9
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…