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Molecule
2-Amino-3-Ethyl-6-Methylpyridine
CAS: 41995-31-7 · C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41995-31-7
- Molecular Formula
- C8H12N2
- Molecular Mass
- 136.20 g/mol
Identifiers
CAS Registry Number
41995-31-7
SMILES
CCc1ccc(C)nc1N
InChI Key
OQNDNGDJFBXUID-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-3-7-5-4-6(2)10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)
Names and Synonyms
- 2-Amino-3-Ethyl-6-Methylpyridine Systematic Name
- 2-Pyridinamine, 3-ethyl-6-methyl- Synonym
- 2-Picoline, 6-amino-5-ethyl- Synonym
- 3-Ethyl-6-methyl-2-pyridinamine Synonym
- 3-Ethyl-6-methyl-2-aminopyridine Synonym
- 2-Amino-3-ethyl-6-methylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.198 g/mol | RDKit | |
| Canonical SMILES | N=1C(N)=C(C=CC1C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c1-3-7-5-4-6(2)10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=OQNDNGDJFBXUID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | 2-Amino-3-ethyl-6-methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| 38.38 Ų | chempirical lib | |
| LogP | 1.5346199999999999 | RDKit |
| 1.5346 | RDKit | |
| 1.39 | chempirical lib | |
| Molar Refractivity | 42.76440000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 136.100048384 g/mol | RDKit |
| Boiling Point | 82-88 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 136.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
