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Molecule
N-Phenyl-2-Pyridinamine
CAS: 6631-37-4 · C11H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6631-37-4
- Molecular Formula
- C11H10N2
- Molecular Mass
- 170.21 g/mol
Identifiers
CAS Registry Number
6631-37-4
SMILES
c1ccc(Nc2ccccn2)cc1
InChI Key
HUDSSSKDWYXKGP-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)
Names and Synonyms
- N-Phenyl-2-Pyridinamine Synonym
- 2-Pyridinamine, N-phenyl- Synonym
- Pyridine, 2-anilino- Synonym
- Pyridine, 1-ethyl-1,2-dihydro-2-phenylimino- Synonym
- N-Phenyl-2-pyridinamine Synonym
- 2-Anilinopyridine Synonym
- 2-(Phenylamino)pyridine Synonym
- NSC 53090 Synonym
- N-(2-Pyridyl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.21 g/mol | CAS Common Chemistry |
| 170.215 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=CC1NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=HUDSSSKDWYXKGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | N-Phenyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| 24.39 Ų | chempirical lib | |
| LogP | 2.8252000000000006 | RDKit |
| 2.8252 | RDKit | |
| Molar Refractivity | 53.96170000000002 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 = 170.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H10N2.
