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Α-Cyanostilbene
CAS: 2510-95-4 | C15H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2510-95-4
Molecular Formula:
C15H11N
Molecular Mass:
205.26 g/mol
Names and Synonyms:
Α-Cyanostilbene
Benzeneacetonitrile, α-(phenylmethylene)-
Acrylonitrile, 2,3-diphenyl-
Acrylonitrile, α,β-diphenyl-
α-(Phenylmethylene)benzeneacetonitrile
α-Stilbenecarbonitrile
α-Cyanostilbene
Benzylidene(phenyl)acetonitrile
α-Phenylcinnamonitrile
2,3-Diphenylacrylonitrile
1-Cyano-1,2-diphenylethene
2,3-Diphenylpropenonitrile
NSC 12489
NSC 2018
Identifiers:
SMILES:
N#CC(=Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H
Key Properties
Boiling Point
120-125 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
86 °C
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 | 205.26 g/mol | CAS Common Chemistry |
| 205.089149352 g/mol | RDKit | |
| Boiling Point | 120-125 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CC(=CC=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=VFOKYTYWXOYPOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | α-Cyanostilbene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 3.7507800000000024 | RDKit |
| Molar Refractivity | 66.36800000000004 | RDKit |
