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Molecule
4-Aminostyrene
CAS: 1520-21-4 · C8H9N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1520-21-4
- Molecular Formula
- C8H9N
- Molecular Mass
- 119.17 g/mol
Identifiers
CAS Registry Number
1520-21-4
SMILES
C=Cc1ccc(N)cc1
InChI Key
LBSXSAXOLABXMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
Names and Synonyms
- 4-Aminostyrene Synonym
- Benzenamine, 4-ethenyl- Synonym
- Aniline, p-vinyl- Synonym
- 4-Ethenylbenzenamine Synonym
- p-Vinylaniline Synonym
- 4-Aminostyrene Synonym
- 4-Vinylaniline Synonym
- p-Aminostyrene Synonym
- p-Ethenylaniline Synonym
- 4-Vinylphenylamine Synonym
- 4-Vinylbenzenamine Synonym
- 1-Amino-4-vinylbenzene Synonym
- 4-Ethenylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.17 g/mol | CAS Common Chemistry |
| 119.16699999999999 g/mol | RDKit | |
| 119.167 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.012 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Canonical SMILES | C=CC1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LBSXSAXOLABXMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 23.5 °C | CAS Common Chemistry |
| Name | 4-Aminostyrene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.9118000000000002 | RDKit |
| 1.9118 | RDKit | |
| Molar Refractivity | 40.945400000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 119.073499288 g/mol | RDKit |
| Boiling Point | 98-100 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 119.17 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9N.
