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Molecule
2-(Methylamino)Pyridine
CAS: 4597-87-9 · C6H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4597-87-9
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
4597-87-9
SMILES
CNc1ccccn1
InChI Key
SVEUVITYHIHZQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
Names and Synonyms
- 2-(Methylamino)Pyridine Systematic Name
- 2-Pyridinamine, N-methyl- Synonym
- Pyridine, 2-(methylamino)- Synonym
- N-Methyl-2-pyridinamine Synonym
- 2-(Methylamino)pyridine Synonym
- N-2-Pyridylmethylamine Synonym
- N-Methyl-2-aminopyridine Synonym
- N-Methyl-N-(2-pyridyl)amine Synonym
- NSC 122871 Synonym
- Methyl(pyridin-2-yl)amine Synonym
- N-Methyl-N-(pyridin-2-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | N=1C=CC=CC1NC | CAS Common Chemistry |
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999999 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Boiling Point | 200.5 °C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SVEUVITYHIHZQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | 2-(Methylamino)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| 24.39 Ų | chempirical lib | |
| LogP | 1.1232999999999997 | RDKit |
| 1.1233 | RDKit | |
| Molar Refractivity | 33.7837 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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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.
