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Molecule
3,5-Diethyl-1,2-Dihydro-1-Phenyl-2-Propylpyridine
CAS: 34562-31-7 · C18H25N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34562-31-7
- Molecular Formula
- C18H25N
- Molecular Mass
- 255.41 g/mol
Identifiers
CAS Registry Number
34562-31-7
SMILES
CCCC1C(CC)=CC(CC)=CN1c1ccccc1
InChI Key
IAAASXBHFUJLHW-UHFFFAOYSA-N
InChI
InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3
Names and Synonyms
- 3,5-Diethyl-1,2-Dihydro-1-Phenyl-2-Propylpyridine Synonym
- 3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine Synonym
- Reillcat ASY 2 Synonym
- ASY 2 Synonym
- 3,5-Diethyl-1-phenyl-2-propyl-2H-pyridine Synonym
- Pyridine, 3,5-diethyl-1,2-dihydro-1-phenyl-2-propyl- Synonym
- 3,5-Diethyl-1,2-dihydro-1-phenyl-2-propylpyridine Synonym
- N-Phenyl-3,5-diethyl-2-propyl-1,2-dihydropyridine Synonym
- 3,5-Diethyl-N-phenyl-2-propyl-1,2-dihydropyridine Synonym
- N-Phenyl-2-propyl-3,5-diethyl-1,2-dihydropyridine Synonym
- Vanax 808HP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.41 g/mol | CAS Common Chemistry |
| 255.405 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)N2C=C(C=C(CC)C2CCC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IAAASXBHFUJLHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,5-Diethyl-1,2-dihydro-1-phenyl-2-propylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 5.305600000000005 | RDKit |
| 5.3056 | RDKit | |
| Molar Refractivity | 84.36500000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| 0.44 | chempirical lib | |
| Exact Mass | 255.19869979999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 255.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H25N.
