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Molecule
4-Amino-2-Methylpyridine
CAS: 18437-58-6 · C6H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18437-58-6
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
18437-58-6
SMILES
Cc1cc(=N)cc[nH]1
InChI Key
GNCLPNMQEGMNTG-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-5-4-6(7)2-3-8-5/h2-4H,1H3,(H2,7,8)
Names and Synonyms
- 4-Amino-2-Methylpyridine Systematic Name
- 4-Pyridinamine, 2-methyl- Synonym
- 4-Amino-2-methylpyridine Synonym
- 2-Methyl-4-aminopyridine Synonym
- (2-Methylpyridin-4-yl)amine Synonym
- 2-Picoline, 4-amino- Synonym
- 2-Methyl-4-pyridinamine Synonym
- 4-Amino-2-picoline Synonym
- 4-Amino-α-picoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999999 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(N)=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c1-5-4-6(7)2-3-8-5/h2-4H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=GNCLPNMQEGMNTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95.5-96 °C | CAS Common Chemistry |
| Name | 4-Amino-2-methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 0.8025899999999999 | RDKit |
| 0.8026 | RDKit | |
| Molar Refractivity | 31.3844 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 108.06874825599999 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 = 108.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2.
