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Molecule
4-Aminostilbene
CAS: 834-24-2 · C14H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 834-24-2
- Molecular Formula
- C14H13N
- Molecular Mass
- 195.26 g/mol
Identifiers
CAS Registry Number
834-24-2
SMILES
Nc1ccc(C=Cc2ccccc2)cc1
InChI Key
VFPLSXYJYAKZCT-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2
Names and Synonyms
- 4-Aminostilbene Synonym
- Benzenamine, 4-(2-phenylethenyl)- Synonym
- 4-Stilbenamine Synonym
- 4-(2-Phenylethenyl)benzenamine Synonym
- 4-Aminostilbene Synonym
- p-Styrylaniline Synonym
- p-Aminostilbene Synonym
- NSC 36396 Synonym
- 4-Styrylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.26500000000001 g/mol | RDKit | |
| 195.265 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 |
| 3.4392 | RDKit | |
| Molar Refractivity | 66.22440000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.104799416 g/mol | RDKit |
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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MW = 195.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13N.
