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Molecule
6-Ethyl-2-Pyridinamine
CAS: 21717-29-3 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21717-29-3
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
21717-29-3
SMILES
CCc1cccc(N)n1
InChI Key
JXKAUUVMXZIJNZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)
Names and Synonyms
- 6-Ethyl-2-Pyridinamine Synonym
- 2-Pyridinamine, 6-ethyl- Synonym
- Pyridine, 2-amino-6-ethyl- Synonym
- 6-Ethyl-2-pyridinamine Synonym
- 2-Amino-6-ethylpyridine Synonym
- (6-Ethylpyridin-2-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999999 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Boiling Point | 217-219 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C(N)=CC=CC1CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=JXKAUUVMXZIJNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Ethyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.2261999999999997 | RDKit |
| 1.2262 | RDKit | |
| Molar Refractivity | 38.0274 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 122.08439831999999 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 = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
