Back to Search
Molecule
4-Ethyl-2-Pyridinamine
CAS: 33252-32-3 · C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33252-32-3
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
33252-32-3
SMILES
CCc1cc[nH]c(=N)c1
InChI Key
SJWHILBZPGQBJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
Names and Synonyms
- 4-Ethyl-2-Pyridinamine Systematic Name
- 2-Pyridinamine, 4-ethyl- Synonym
- Pyridine, 2-amino-4-ethyl- Synonym
- 4-Ethyl-2-pyridinamine Synonym
- 2-Amino-4-ethylpyridine Synonym
- (4-Ethylpyridin-2-yl)amine Synonym
- 4-Ethyl-2-Aminopyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999998 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=SJWHILBZPGQBJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66.5-67.5 °C | CAS Common Chemistry |
| Name | 4-Ethyl-2-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.0565699999999998 | RDKit |
| 1.0566 | RDKit | |
| 1.0 | chempirical lib | |
| Molar Refractivity | 36.02539999999999 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 |
| Boiling Point | 140-148 °C @ 20 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
