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4-Ethoxy-3-Pyridinamine
CAS: 1633-43-8 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1633-43-8
Molecular Formula:
C7H10N2O
Molecular Weight:
138.16999999999996 g/mol
Names and Synonyms:
4-Ethoxy-3-Pyridinamine
(4-Ethoxypyridin-3-yl)amine
4-Ethoxy-3-aminopyridine
Pyridine, 3-amino-4-ethoxy-
4-Ethoxypyridin-3-amine
3-Amino-4-ethoxypyridine
4-Ethoxy-3-pyridinamine
3-Pyridinamine, 4-ethoxy-
Identifiers:
SMILES:
CCOc1ccncc1N
InChI:
InChI=1S/C7H10N2O/c1-2-10-7-3-4-9-5-6(7)8/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=CC(OCC)=C(N)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2O/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XHEMFRKTOJUJJX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Ethoxy-3-pyridinamine None | Legacy Database |
| LogP | 1.0625 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.16999999999996 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 |
