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2-Ethyl-3-Methoxypyrazine
CAS: 25680-58-4 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25680-58-4
Molecular Formula:
C7H10N2O
Molecular Mass:
138.17 g/mol
Names and Synonyms:
2-Ethyl-3-Methoxypyrazine
Pyrazine, 2-ethyl-3-methoxy-
2-Ethyl-3-methoxypyrazine
2-Methoxy-3-ethylpyrazine
3-Ethyl-2-methoxypyrazine
Identifiers:
SMILES:
CCc1nccnc1OC
InChI:
InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
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 |
| 138.07931294 g/mol | RDKit | |
| Canonical SMILES | N=1C=CN=C(C1OC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DPCILIMHENXHQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethyl-3-methoxypyrazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.010000000000005 Ų | RDKit |
| LogP | 1.0475999999999999 | RDKit |
| Molar Refractivity | 37.962 | RDKit |
