Basic information
- CAS
32545-68-9- Standard SMILES
CCCCCCCCNC(P(=O)(O)O)P(=O)(O)O.Cl- InChIKey
GUEQLOCEXRZOOH-UHFFFAOYSA-N- Molecular formula
- C9H24ClNO6P2
- Average molar mass
- 339.69 g/mol
- Monoisotopic mass
- 339.0767392
Names & identifiers
- Preferred name
- [(Octylamino)methanediyl]bis(phosphonic acid) hydrochloride
- IUPAC
- [(octylamino)-phosphonomethyl]phosphonic acid;hydrochloride
Names & synonyms
32545-68-9[(octylamino)methanediyl]bis(phosphonic acid) hydrochlorideNSC722624DTXSID50328069NSC-722624N-octyl-aminomethylene bisphosphonate (hydrochloride)[(Octylamino)methylene]bis(phosphonic acid)--hydrogen chloride (1/1)
Database identifiers
- CAS
32545-68-9- PubChem CID
- 405396
- DTXSID
DTXSID50328069
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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