Back to Search
4-Vinylpyridine
CAS: 100-43-6 | C7H7N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-43-6
Molecular Formula:
C7H7N
Molecular Mass:
105.14 g/mol
Names and Synonyms:
4-Vinylpyridine
Pyridine, 4-ethenyl-
Pyridine, 4-vinyl-
4-Ethenylpyridine
4-Vinylpyridine
γ-Vinylpyridine
NSC 18256
2-(4-Pyridyl)ethylene
Identifiers:
SMILES:
C=Cc1ccncc1
InChI:
InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
Key Properties
Boiling Point
65 °C @ Press: 15 Torr
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
0.98 g/cm³
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 | 105.14 g/mol | CAS Common Chemistry |
| 105.13999999999999 g/mol | RDKit | |
| 105.057849224 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9800 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Vinylpyridine | CAS Common Chemistry |
| Boiling Point | 65 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(C=C)=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KFDVPJUYSDEJTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 4-Vinylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.7246000000000001 | RDKit |
| Molar Refractivity | 34.328 | RDKit |
