Back to Search
6-Ethoxypyridin-3-Amine
CAS: 52025-34-0 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52025-34-0
Molecular Formula:
C7H10N2O
Molecular Mass:
138.17 g/mol
Names and Synonyms:
6-Ethoxypyridin-3-Amine
3-Pyridinamine, 6-ethoxy-
Pyridine, 5-amino-2-ethoxy-
6-Ethoxy-3-pyridinamine
5-Amino-2-ethoxypyridine
2-Ethoxy-5-aminopyridine
6-Ethoxypyridin-3-ylamine
6-Ethoxypyridin-3-amine
Identifiers:
SMILES:
CCOc1ccc(N)cn1
InChI:
InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3
Key Properties
Melting Point
67.5-68.5 °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 | 138.17 g/mol | CAS Common Chemistry |
| 138.07931294 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(N)C=CC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UXIPFCIFZLFXNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67.5-68.5 °C | CAS Common Chemistry |
| Name | 6-Ethoxypyridin-3-amine | 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 |
