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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 Mass:
138.17 g/mol
Names and Synonyms:
4-Ethoxy-3-Pyridinamine
3-Pyridinamine, 4-ethoxy-
Pyridine, 3-amino-4-ethoxy-
4-Ethoxy-3-pyridinamine
3-Amino-4-ethoxypyridine
4-Ethoxy-3-aminopyridine
(4-Ethoxypyridin-3-yl)amine
4-Ethoxypyridin-3-amine
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16999999999996 g/mol | RDKit | |
| 138.07931294 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(OCC)=C(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-2-10-7-3-4-9-5-6(7)8/h3-5H,2,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XHEMFRKTOJUJJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Ethoxy-3-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 |
