Benzoic acid, 4-(((diethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester
Basic information
- CAS
160092-82-0- Standard SMILES
CCOC(=O)c1ccc(NC(c2cccnc2)P(=O)(OCC)OCC)cc1- InChIKey
KLXURWYNYXIAPD-UHFFFAOYSA-N- Molecular formula
- C19H25N2O5P
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.1501089
Names & identifiers
- Preferred name
- Benzoic acid, 4-(((diethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[diethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
Names & synonyms
Ethyl 4-(((diethoxyphosphinyl)-3-pyridinylmethyl)amino)benzoate160092-82-0Benzoic acid, 4-(((diethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl esterRefChem:327291DTXSID40936218Ethyl 4-{[(diethoxyphosphoryl)(pyridin-3-yl)methyl]amino}benzoate
Database identifiers
- CAS
160092-82-0- PubChem CID
- 3074615
- DTXSID
DTXSID40936218
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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