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Pyridine, 1,2,3,6-Tetrahydro-4-Phenyl-, Hydrochloride (1:1)
CAS: 43064-12-6 | C11H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
43064-12-6
Molecular Formula:
C11H14ClN
Molecular Mass:
195.69 g/mol
Names and Synonyms:
Pyridine, 1,2,3,6-Tetrahydro-4-Phenyl-, Hydrochloride (1:1)
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride (1:1)
Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride
4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride
1,2,3,6-Tetrahydro-4-phenylpyridine hydrochloride
4-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
Identifiers:
SMILES:
C1=C(c2ccccc2)CCNC1.Cl
InChI:
InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
Key Properties
Melting Point
199-202 °C
CAS Common Chemistry
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 | 195.69 g/mol | CAS Common Chemistry |
| 195.69299999999998 g/mol | RDKit | |
| 195.081477128 g/mol | RDKit | |
| Canonical SMILES | Cl.C=1C=CC(=CC1)C2=CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=POGWXTJNUCZEPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199-202 °C | CAS Common Chemistry |
| Name | Pyridine, 1,2,3,6-tetrahydro-4-phenyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.4851000000000005 | RDKit |
| Molar Refractivity | 59.153700000000036 | RDKit |
