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Α-Phenyl-2-Pyridineacetamide
CAS: 7251-52-7 | C13H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7251-52-7
Molecular Formula:
C13H12N2O
Molecular Mass:
212.25 g/mol
Names and Synonyms:
Α-Phenyl-2-Pyridineacetamide
2-Pyridineacetamide, α-phenyl-
α-Phenyl-2-pyridineacetamide
2-Phenyl-2-(2-pyridyl)acetamide
SC 16571
α-(2-Pyridyl)benzeneacetamide
NSC 62572
2-Phenyl-2-pyridin-2-yl-acetamide
2-Phenyl-2-pyridin-2-ylacetamide
2-Phenyl-2-(pyridin-2-yl)acetamide
Identifiers:
SMILES:
N=C(O)C(c1ccccc1)c1ccccn1
InChI:
InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)
Key Properties
Melting Point
134 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.252 g/mol | RDKit | |
| 212.094963004 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(C1=NC=CC=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16) | CAS Common Chemistry |
| InChI Key | InChIKey=PYAPITOPBTXXNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | α-Phenyl-2-pyridineacetamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 56.97 Ų | RDKit |
| LogP | 2.7487700000000013 | RDKit |
| Molar Refractivity | 62.877500000000026 | RDKit |
