Basic information
- CAS
84713-01-9- Standard SMILES
CC(CCN(CP(=O)(O)O)CP(=O)(O)O)CC(C)(C)C- InChIKey
MVVXUEVCZPXMKR-UHFFFAOYSA-N- Molecular formula
- C11H27NO6P2
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.13136158
Names & identifiers
- Preferred name
- (((3,5,5-Trimethylhexyl)imino)bis(methylene))diphosphonic acid
- IUPAC
- [phosphonomethyl(3,5,5-trimethylhexyl)amino]methylphosphonic acid
- English name
- [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonic acid
- Molecular formula
- C11H27NO6P2
- Molecular weight
- 331.282702
Names & synonyms
84713-01-9EINECS 283-792-2(((3,5,5-Trimethylhexyl)imino)bis(methylene))diphosphonic acid(((3,5,5-Trimethylhexyl)azanediyl)bis(methylene))diphosphonic acidMVVXUEVCZPXMKR-UHFFFAOYSA-NDTXSID001005021NS00059614{[(3,5,5-Trimethylhexyl)azanediyl]bis(methylene)}bis(phosphonic acid)[[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonic acid[[(3,5,5-Trimethylhexyl)imino]bis(methylene)]bisphosphonic acid[[(3,5,5-Trimethylhexyl)imino]bis(methylene)]bis(phosphonic acid)
Database identifiers
- CAS
84713-01-9- PubChem CID
- 44147136
- DTXSID
DTXSID001005021- EC Number
- 283-792-2
- Nikkaji
- J309.114G
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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