Ethyldiphacil
Basic information
- CAS
13426-07-8- Standard SMILES
CCC(CN(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1- InChIKey
MLDAYGZPPRLGLE-UHFFFAOYSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.21982917
Overview
Russian drug; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Ethyldiphacil
- IUPAC
- 1-(diethylamino)butan-2-yl 2,2-diphenylacetate
- English name
- ethyldiphacil
- Molecular formula
- C22H29NO2
- Molecular weight
- 339.47
Names & synonyms
EthyldiphacilEterofenEthyldiphenacetate13426-07-81-Ethyl-2-(diethylamino)ethyl diphenylacetateRefChem:1391201-(diethylamino)butan-2-yl 2,2-diphenylacetateIem-506DTXSID109285491-(Diethylamino)butan-2-yl diphenylacetateα-Phenylbenzeneacetic acid 1-[(diethylamino)methyl]propyl esterBenzeneacetic acid, α-phenyl-, 1-[(diethylamino)methyl]propyl ester
Database identifiers
- CAS
13426-07-8- PubChem CID
- 25330
- DTXSID
DTXSID10928549- Nikkaji
- J21.213J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 444.9 · 444.9±30.0 °C(Predicted)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…