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Molecule
2-Methoxypyridin-4-Amine
CAS: 20265-39-8 · C6H8N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20265-39-8
- Molecular Formula
- C6H8N2O
- Molecular Mass
- 124.14 g/mol
Identifiers
CAS Registry Number
20265-39-8
SMILES
COc1cc(N)ccn1
InChI Key
SVEQHRSELNPKJJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
Names and Synonyms
- 2-Methoxypyridin-4-Amine Synonym
- 4-Pyridinamine, 2-methoxy- Synonym
- Pyridine, 4-amino-2-methoxy- Synonym
- 2-Methoxy-4-pyridinamine Synonym
- 4-Amino-2-methoxypyridine Synonym
- (2-Methoxypyridin-4-yl)amine Synonym
- NSC 133109 Synonym
- 2-Methoxypyridin-4-amine Synonym
- 2-Methoxy-4-aminopyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.143 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(N)=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SVEQHRSELNPKJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91.5-92.0 °C | CAS Common Chemistry |
| Name | 2-Methoxypyridin-4-amine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| 47.61 Ų | chempirical lib | |
| LogP | 0.6724 | RDKit |
| Molar Refractivity | 35.2014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 124.063662876 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 = 124.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2O.
