Basic information
- Standard SMILES
CCCCNCCC(P(=O)(O)O)P(=O)(O)O- InChIKey
IEMDEDJKMKCTPM-UHFFFAOYSA-N- Molecular formula
- C7H19NO6P2
- Average molar mass
- 275.18 g/mol
- Monoisotopic mass
- 275.06876132
Names & identifiers
- Preferred name
- 3-(Butylamino)propane-1,1-bisphosphonic acid
- IUPAC
- [3-(butylamino)-1-phosphonopropyl]phosphonic acid
Names & synonyms
SCHEMBL8671903IEMDEDJKMKCTPM-UHFFFAOYSA-N3-(butylamino)propane-1,1-bisphosphonic acid
Database identifiers
- PubChem CID
- 19689022
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
1 records
Compound notes
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