Basic information
- CAS
562-40-3- Standard SMILES
CCOP(OCC)[N+](CC)(CC)P(=O)([O-])OC- InChIKey
ZQMSSVRFIFUJMZ-UHFFFAOYSA-N- Molecular formula
- C9H23NO5P2
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.10514683
Names & identifiers
- Preferred name
- HC 4131
- IUPAC
- [diethoxyphosphanyl(diethyl)azaniumyl]-methoxyphosphinate
Names & synonyms
4131 HCHC 4131BRN 1878679P'-AMIDODIPHOSPHORIC(III,V) ACID, DIETHYL-, P,P-DIETHYL P'-METHYL ESTER562-40-3DTXSID50204738RefChem:347082DTXCID80127229
Database identifiers
- CAS
562-40-3- PubChem CID
- 11227
- DTXSID
DTXSID50204738
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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