[(Diethylamino)methanediyl]bis(phosphonic acid)
Basic information
- CAS
32545-65-6- Standard SMILES
CCN(CC)C(P(=O)(O)O)P(=O)(O)O- InChIKey
CUOTUHGKHSVFHG-UHFFFAOYSA-N- Molecular formula
- C5H15NO6P2
- Average molar mass
- 247.12 g/mol
- Monoisotopic mass
- 247.03746119
Names & identifiers
- Preferred name
- [(Diethylamino)methanediyl]bis(phosphonic acid)
- IUPAC
- [diethylamino(phosphono)methyl]phosphonic acid
Names & synonyms
32545-65-6CHEMBL54344(Diethylamino)Methylenediphosphonic Acid[(diethylamino)methanediyl]bis(phosphonic acid)NSC722616SCHEMBL9630354DTXSID70328066BDBM50115107NSC-722616[(diethylamino)methylene]-1,1-bisphosphonate[(Diethylamino)methylene]bis(phosphonic acid)(Diethylamino-phosphono-methyl)-phosphonic acid
Database identifiers
- CAS
32545-65-6- PubChem CID
- 405387
- DTXSID
DTXSID70328066- ChEMBL
CHEMBL54344- Nikkaji
- J2.051.113C
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
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Related reactions
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Compound notes
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