Basic information
- CAS
249889-51-8- Standard SMILES
CCOP(=O)(OCC)C(C)(NCc1ccccc1)c1ccccc1- InChIKey
PQWYDSHIXWOBEO-UHFFFAOYSA-N- Molecular formula
- C19H26NO3P
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16503069
Names & identifiers
- Preferred name
- Phosphonic acid, [1-phenyl-1-[(phenylmethyl)amino]ethyl]-, diethyl ester
- IUPAC
- N-benzyl-1-diethoxyphosphoryl-1-phenylethanamine
Names & synonyms
249889-51-8Phosphonic acid, [1-phenyl-1-[(phenylmethyl)amino]ethyl]-, diethyl esterdiethyl [1-(benzylamino)-1-phenylethyl]phosphonateDTXSID70458534
Database identifiers
- CAS
249889-51-8- PubChem CID
- 11198822
- DTXSID
DTXSID70458534- Nikkaji
- J1.325.523G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…