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5-Phenyl-2-Pyridinamine
CAS: 33421-40-8 | C11H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33421-40-8
Molecular Formula:
C11H10N2
Molecular Mass:
170.22 g/mol
Names and Synonyms:
5-Phenyl-2-Pyridinamine
2-Pyridinamine, 5-phenyl-
Pyridine, 2-amino-5-phenyl-
5-Phenyl-2-pyridinamine
2-Amino-5-phenylpyridine
Phe-P 1
5-Phenylpyridin-2-ylamine
Identifiers:
SMILES:
N=c1ccc(-c2ccccc2)c[nH]1
InChI:
InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
Key Properties
Melting Point
133 °C @ Solvent: Water
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 | 170.22 g/mol | CAS Common Chemistry |
| 170.215 g/mol | RDKit | |
| 170.08439832 g/mol | RDKit | |
| Canonical SMILES | N1=CC(=CC=C1N)C2=CC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=OAPVIBHQRYFYSE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 5-Phenyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.16117 | RDKit |
| Molar Refractivity | 52.08340000000002 | RDKit |
