[(Propylamino)methanediyl]bis(phosphonic acid)
Basic information
- CAS
71066-25-6- Standard SMILES
CCCNC(P(=O)(O)O)P(=O)(O)O- InChIKey
UOKUTISKLHJRGG-UHFFFAOYSA-N- Molecular formula
- C4H13NO6P2
- Average molar mass
- 233.1 g/mol
- Monoisotopic mass
- 233.02181113
Names & identifiers
- Preferred name
- [(Propylamino)methanediyl]bis(phosphonic acid)
- IUPAC
- [phosphono(propylamino)methyl]phosphonic acid
Names & synonyms
71066-25-6[(propylamino)methanediyl]bis(phosphonic acid)NSC723979SCHEMBL8817761DTXSID20328096NSC-723979[(Propylamino)methylene]bis(phosphonic acid)
Database identifiers
- CAS
71066-25-6- PubChem CID
- 406063
- DTXSID
DTXSID20328096- ChEMBL
CHEMBL299717
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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