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Molecule
2-Ethoxy-4-Pyridinamine
CAS: 89943-12-4 · C7H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89943-12-4
- Molecular Formula
- C7H10N2O
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
89943-12-4
SMILES
CCOc1cc(N)ccn1
InChI Key
HSPMUFVIWJXJHX-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3,(H2,8,9)
Names and Synonyms
- 2-Ethoxy-4-Pyridinamine Synonym
- 4-Pyridinamine, 2-ethoxy- Synonym
- Pyridine, 4-amino-2-ethoxy- Synonym
- 2-Ethoxy-4-pyridinamine Synonym
- 2-Ethoxy-4-aminopyridine Synonym
- 4-Amino-2-ethoxypyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 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 |
| 47.61 Ų | chempirical lib | |
| LogP | 1.0625 | RDKit |
| Molar Refractivity | 39.818400000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 138.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O.
