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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
Names and Synonyms:
3,5-Diethyl-1,2-Dihydro-1-Phenyl-2-Propylpyridine
3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
Reillcat ASY 2
ASY 2
3,5-Diethyl-1-phenyl-2-propyl-2H-pyridine
Pyridine, 3,5-diethyl-1,2-dihydro-1-phenyl-2-propyl-
3,5-Diethyl-1,2-dihydro-1-phenyl-2-propylpyridine
N-Phenyl-3,5-diethyl-2-propyl-1,2-dihydropyridine
3,5-Diethyl-N-phenyl-2-propyl-1,2-dihydropyridine
N-Phenyl-2-propyl-3,5-diethyl-1,2-dihydropyridine
Vanax 808HP
Identifiers:
SMILES:
CCCC1C(CC)=CC(CC)=CN1c1ccccc1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.41 g/mol | CAS Common Chemistry |
| 255.405 g/mol | RDKit | |
| 255.19869979999999 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 |
| LogP | 5.305600000000005 | RDKit |
| Molar Refractivity | 84.36500000000005 | RDKit |
