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Molecule
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
Identifiers
CAS Registry Number
2510-95-4
SMILES
N#CC(=Cc1ccccc1)c1ccccc1
InChI Key
VFOKYTYWXOYPOX-UHFFFAOYSA-N
InChI
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H
Names and Synonyms
- Α-Cyanostilbene Common Name
- Benzeneacetonitrile, α-(phenylmethylene)- Synonym
- Acrylonitrile, 2,3-diphenyl- Synonym
- Acrylonitrile, α,β-diphenyl- Synonym
- α-(Phenylmethylene)benzeneacetonitrile Synonym
- α-Stilbenecarbonitrile Synonym
- α-Cyanostilbene Synonym
- Benzylidene(phenyl)acetonitrile Synonym
- α-Phenylcinnamonitrile Synonym
- 2,3-Diphenylacrylonitrile Synonym
- 1-Cyano-1,2-diphenylethene Synonym
- 2,3-Diphenylpropenonitrile Synonym
- NSC 12489 Synonym
- NSC 2018 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.26 g/mol | 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 |
| 3.7508 | RDKit | |
| Molar Refractivity | 66.36800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 205.089149352 g/mol | RDKit |
| Boiling Point | 120-125 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 205.26 g/mol. Edit any field — others recompute live.
