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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 Weight:
122.17099999999998 g/mol
Names and Synonyms:
4-Ethyl-2-Pyridinamine
4-Ethyl-2-Aminopyridine
(4-Ethylpyridin-2-yl)amine
2-Amino-4-ethylpyridine
4-Ethyl-2-pyridinamine
Pyridine, 2-amino-4-ethyl-
2-Pyridinamine, 4-ethyl-
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)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.17099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 39.64 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0565699999999998 | RDKit |
| molecular_mass | 122.17 g/mol | Legacy Database |
| cas-boiling-point | 140-148 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | N=1C=CC(=CC1N)CC None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=SJWHILBZPGQBJE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 66.5-67.5 °C None | Legacy Database |
| cas-name | 4-Ethyl-2-pyridinamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.02539999999999 | RDKit |
