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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
Names and Synonyms:
4-Ethyl-2-Pyridinamine
2-Pyridinamine, 4-ethyl-
Pyridine, 2-amino-4-ethyl-
4-Ethyl-2-pyridinamine
2-Amino-4-ethylpyridine
(4-Ethylpyridin-2-yl)amine
4-Ethyl-2-Aminopyridine
Identifiers:
SMILES:
CCc1cc[nH]c(=N)c1
InChI:
InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
Key Properties
Boiling Point
140-148 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
66.5-67.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999998 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Boiling Point | 140-148 °C @ Press: 20 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 36.02539999999999 | RDKit |
