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Molecule
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
Identifiers
CAS Registry Number
33421-40-8
SMILES
N=c1ccc(-c2ccccc2)c[nH]1
InChI Key
OAPVIBHQRYFYSE-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)
Names and Synonyms
- 5-Phenyl-2-Pyridinamine Systematic Name
- 2-Pyridinamine, 5-phenyl- Synonym
- Pyridine, 2-amino-5-phenyl- Synonym
- 5-Phenyl-2-pyridinamine Synonym
- 2-Amino-5-phenylpyridine Synonym
- Phe-P 1 Synonym
- 5-Phenylpyridin-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.22 g/mol | CAS Common Chemistry |
| 170.215 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 |
| 2.1612 | RDKit | |
| Molar Refractivity | 52.08340000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 170.08439832 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 = 170.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H10N2.
