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4-Aminostyrene
CAS: 1520-21-4 | C8H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1520-21-4
Molecular Formula:
C8H9N
Molecular Weight:
119.16699999999999 g/mol
Names and Synonyms:
4-Aminostyrene
Benzenamine, 4-ethenyl-
Aniline, p-vinyl-
4-Ethenylbenzenamine
p-Vinylaniline
4-Aminostyrene
4-Vinylaniline
p-Aminostyrene
p-Ethenylaniline
4-Vinylphenylamine
4-Vinylbenzenamine
1-Amino-4-vinylbenzene
4-Ethenylaniline
Identifiers:
SMILES:
C=Cc1ccc(N)cc1
InChI:
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.16699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9118000000000002 | RDKit |
| molecular_mass | 119.17 g/mol | Legacy Database |
| density | 1.01 g/cm³ | Legacy Database |
| cas-boiling-point | 98-100 °C @ Press: 4 Torr None | Legacy Database |
| cas-canonical-smile | C=CC1=CC=C(N)C=C1 None | Legacy Database |
| cas-density | 1.012 g/cm3 @ Temp: 21 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LBSXSAXOLABXMF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 23.5 °C None | Legacy Database |
| cas-name | 4-Aminostyrene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.945400000000014 | RDKit |
