1-Methyl-2-phenoxyethyl-ammoniumethyl phosphonate
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Basic information
- Standard SMILES
CC([NH3+])COc1ccccc1.CC([NH3+])COc1ccccc1.CCP(=O)([O-])[O-]- InChIKey
HPWDQZDPFDFAHA-UHFFFAOYSA-N- Molecular formula
- C20H33N2O5P
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-2-phenoxyethyl-ammoniumethyl phosphonate
- IUPAC
- ethyl-dioxido-oxo-λ5-phosphane;bis(1-phenoxypropan-2-ylazanium)
Names & synonyms
HPWDQZDPFDFAHA-UHFFFAOYSA-N1-methyl-2-phenoxyethyl-ammoniumethyl phosphonate
Database identifiers
- PubChem CID
- 86741454
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 161
Related reactions
2 records
Compound notes
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