Disodium dihydrogen (((1-methylethyl)imino)bis(methylene))bisphosphonate
Basic information
- CAS
94199-81-2- Standard SMILES
CC(C)N(CP(=O)([O-])[O-])CP(=O)(O)O.[Na+].[Na+]- InChIKey
OLVZKKXNNWXAPU-UHFFFAOYSA-L- Molecular formula
- C5H13NNa2O6P2
- Average molar mass
- 291.09 g/mol
- Monoisotopic mass
- 291.00134969
Names & identifiers
- Preferred name
- Disodium dihydrogen (((1-methylethyl)imino)bis(methylene))bisphosphonate
- IUPAC
- disodium;[phosphonatomethyl(propan-2-yl)amino]methylphosphonic acid
- English name
- disodium dihydrogen [[(1-methylethyl)imino]bis(methylene)]bisphosphonate
- Molecular formula
- C5H16NNaO6P2
- Molecular weight
- 271.12
Names & synonyms
94199-81-2EINECS 303-456-1Disodium dihydrogen (((1-methylethyl)imino)bis(methylene))bisphosphonateDTXSID50240954DISODIUM DIHYDROGEN [[(1-METHYLETHYL)IMINO]BIS(METHYLENE)]BISPHOSPHONATERefChem:135026DTXCID80163445303-456-1BA8TJB6KEKOLVZKKXNNWXAPU-UHFFFAOYSA-LDisodium {[(phosphonomethyl)(propan-2-yl)amino]methyl}phosphonatePhosphonic acid, [[(1-methylethyl)imino]bis(methylene)]bis-, disodium salt
Database identifiers
- CAS
94199-81-2- PubChem CID
- 44153755
- DTXSID
DTXSID50240954- UNII
- BA8TJB6KEK
- EC Number
- 303-456-1
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
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Related reactions
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Compound notes
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