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Molecule
2-Amino-3-Methylpyridine
CAS: 1603-40-3 · C6H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1603-40-3
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
1603-40-3
SMILES
Cc1cccnc1N
InChI Key
RGDQRXPEZUNWHX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
Names and Synonyms
- 2-Amino-3-Methylpyridine Synonym
- 2-Pyridinamine, 3-methyl- Synonym
- 3-Picoline, 2-amino- Synonym
- 3-Methyl-2-pyridinamine Synonym
- 2-Amino-3-picoline Synonym
- 2-Amino-3-methylpyridine Synonym
- 2-Amino-β-picoline Synonym
- 3-Methyl-2-aminopyridine Synonym
- 3-Methylpyridin-2-ylamine Synonym
- NSC 176169 Synonym
- NSC 450 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14400000000002 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Boiling Point | 222 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=RGDQRXPEZUNWHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.5 °C | CAS Common Chemistry |
| Name | 2-Amino-3-methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 0.9722199999999999 | RDKit |
| 0.9722 | RDKit | |
| Molar Refractivity | 33.38639999999999 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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1
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200 ppm
180
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140
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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.
