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2-Ethoxy-4-Pyridinamine
CAS: 89943-12-4 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89943-12-4
Molecular Formula:
C7H10N2O
Molecular Mass:
138.17 g/mol
Names and Synonyms:
2-Ethoxy-4-Pyridinamine
4-Pyridinamine, 2-ethoxy-
Pyridine, 4-amino-2-ethoxy-
2-Ethoxy-4-pyridinamine
2-Ethoxy-4-aminopyridine
4-Amino-2-ethoxypyridine
Identifiers:
SMILES:
CCOc1cc(N)ccn1
InChI:
InChI=1S/C7H10N2O/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3,(H2,8,9)
Key Properties
Melting Point
88-89 °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 | 138.17 g/mol | CAS Common Chemistry |
| 138.07931294 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(N)=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=HSPMUFVIWJXJHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 88-89 °C | CAS Common Chemistry |
| Name | 2-Ethoxy-4-pyridinamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| LogP | 1.0625 | RDKit |
| Molar Refractivity | 39.818400000000004 | RDKit |
