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4-Aminostilbene
CAS: 834-24-2 | C14H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
834-24-2
Molecular Formula:
C14H13N
Molecular Mass:
195.26 g/mol
Names and Synonyms:
4-Aminostilbene
Benzenamine, 4-(2-phenylethenyl)-
4-Stilbenamine
4-(2-Phenylethenyl)benzenamine
4-Aminostilbene
p-Styrylaniline
p-Aminostilbene
NSC 36396
4-Styrylaniline
Identifiers:
SMILES:
Nc1ccc(C=Cc2ccccc2)cc1
InChI:
InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2
Key Properties
Melting Point
151-152 °C @ Solvent: Ethanol
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 | 195.26 g/mol | CAS Common Chemistry |
| 195.26500000000001 g/mol | RDKit | |
| 195.104799416 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1)C=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VFPLSXYJYAKZCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 151-152 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4-Aminostilbene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.4392000000000023 | RDKit |
| Molar Refractivity | 66.22440000000002 | RDKit |
