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Molecule
4-(Methylamino)Pyridine
CAS: 1121-58-0 · C6H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1121-58-0
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
1121-58-0
SMILES
CN=c1cc[nH]cc1
InChI Key
LSCYTCMNCWMCQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
Names and Synonyms
- 4-(Methylamino)Pyridine Synonym
- 4-Pyridinamine, N-methyl- Synonym
- Pyridine, 4-(methylamino)- Synonym
- N-Methyl-4-pyridinamine Synonym
- 4-(Methylamino)pyridine Synonym
- 4-(N-Methylamino)pyridine Synonym
- N-Methyl-4-aminopyridine Synonym
- N-(Pyridin-4-yl)-N-methylamine Synonym
- N-Methylpyridin-4-amine Synonym
- (Methyl)(pyridin-4-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999998 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=LSCYTCMNCWMCQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-118 °C | CAS Common Chemistry |
| Name | 4-(Methylamino)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.15 Ų | RDKit |
| LogP | 0.5451999999999999 | RDKit |
| 0.5452 | RDKit | |
| Molar Refractivity | 32.27969999999999 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 |
| Boiling Point | 103 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
