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1-Vinylimidazole
CAS: 1072-63-5 | C5H6N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1072-63-5
Molecular Formula:
C5H6N2
Molecular Weight:
94.11699999999999 g/mol
Names and Synonyms:
1-Vinylimidazole
Common Name
1-Ethenylimidazole
Synonym
1-Vinyl-1H-imidazole
Synonym
1-Vinylimidazole
Synonym
N-Vinylimidazole
Synonym
1-Ethenyl-1H-imidazole
Synonym
Imidazole, 1-vinyl-
Synonym
1H-Imidazole, 1-ethenyl-
Synonym
Identifiers:
SMILES:
C=Cn1ccnc1
InChI:
InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 94.11699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 94.053098192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 17.82 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9835999999999999 | RDKit |
| molecular_mass | 94.12 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Vinylimidazole None | Legacy Database |
| cas-boiling-point | 100-113 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | N=1C=CN(C1)C=C None | Legacy Database |
| cas-density | 1.0414 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OSSNTDFYBPYIEC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Vinylimidazole None | Legacy Database |
| wikipedia-name | 1-Vinylimidazole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.61399999999999 | RDKit |