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2-(Benzylamino)Pyridine
CAS: 6935-27-9 | C12H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6935-27-9
Molecular Formula:
C12H12N2
Molecular Mass:
184.24 g/mol
Names and Synonyms:
2-(Benzylamino)Pyridine
2-Pyridinamine, N-(phenylmethyl)-
Pyridine, 2-(benzylamino)-
N-(Phenylmethyl)-2-pyridinamine
2-(Benzylamino)pyridine
N-Benzyl-2-pyridinamine
N-Benzyl-2-aminopyridine
NSC 59833
N-Benzylpyridine-2-amine
Benzyl(2-pyridyl)amine
Identifiers:
SMILES:
c1ccc(CNc2ccccn2)cc1
InChI:
InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
Key Properties
Boiling Point
147-150 °C @ Press: 2.5 Torr
CAS Common Chemistry
Melting Point
93-94 °C @ Solvent: Benzene
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 | 184.24 g/mol | CAS Common Chemistry |
| 184.24200000000002 g/mol | RDKit | |
| 184.100048384 g/mol | RDKit | |
| Boiling Point | 147-150 °C @ Press: 2.5 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1NCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=WYHXNQXDQQMTQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2-(Benzylamino)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| LogP | 2.6937000000000006 | RDKit |
| Molar Refractivity | 58.005700000000026 | RDKit |
