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2-(Methylamino)Pyridine
CAS: 4597-87-9 | C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4597-87-9
Molecular Formula:
C6H8N2
Molecular Weight:
108.14399999999999 g/mol
Names and Synonyms:
2-(Methylamino)Pyridine
N-Methyl-N-(pyridin-2-yl)amine
Methyl(pyridin-2-yl)amine
NSC 122871
N-Methyl-N-(2-pyridyl)amine
N-Methyl-2-aminopyridine
N-2-Pyridylmethylamine
2-(Methylamino)pyridine
N-Methyl-2-pyridinamine
Pyridine, 2-(methylamino)-
2-Pyridinamine, N-methyl-
Identifiers:
SMILES:
CNc1ccccn1
InChI:
InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 108.14 g/mol | Legacy Database |
| cas-boiling-point | 200.5 °C None | Legacy Database |
| cas-canonical-smile | N=1C=CC=CC1NC None | Legacy Database |
| cas-inchi | InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=SVEUVITYHIHZQE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 15 °C None | Legacy Database |
| cas-name | 2-(Methylamino)pyridine None | Legacy Database |
| LogP | 1.1232999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.14399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.06874825599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.92 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.7837 | RDKit |
