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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 Weight:
138.17 g/mol
Names and Synonyms:
6-Ethoxypyridin-3-Amine
6-Ethoxypyridin-3-amine
6-Ethoxypyridin-3-ylamine
2-Ethoxy-5-aminopyridine
5-Amino-2-ethoxypyridine
6-Ethoxy-3-pyridinamine
Pyridine, 5-amino-2-ethoxy-
3-Pyridinamine, 6-ethoxy-
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-canonical-smile | N=1C=C(N)C=CC1OCC None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UXIPFCIFZLFXNC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 67.5-68.5 °C None | Legacy Database |
| cas-name | 6-Ethoxypyridin-3-amine None | Legacy Database |
| LogP | 1.0625 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 48.14 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.818400000000004 | RDKit |
