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Molecule
Eprazinone
CAS: 10402-90-1 · C24H32N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10402-90-1
- Molecular Formula
- C24H32N2O2
- Molecular Mass
- 380.53 g/mol
Identifiers
CAS Registry Number
10402-90-1
SMILES
CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
InChI Key
BSHWLCACYCVCJE-UHFFFAOYSA-N
InChI
InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3
Names and Synonyms
- Eprazinone Common Name
- 1-Propanone, 3-[4-(2-ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl- Synonym
- 3-[4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-1-propanone Synonym
- Eprazinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 380.53 g/mol | CAS Common Chemistry |
| 380.53200000000015 g/mol | RDKit | |
| 380.532 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(C)CN2CCN(CC2)CC(OCC)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BSHWLCACYCVCJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Eprazinone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.78 Ų | RDKit |
| 32.32 Ų | chempirical lib | |
| LogP | 3.900800000000003 | RDKit |
| 3.9008 | RDKit | |
| Molar Refractivity | 113.62550000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4583 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 380.246378264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 380.53 g/mol. Edit any field — others recompute live.
