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2-Ethoxy-3-Methylpyrazine
CAS: 32737-14-7 | C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32737-14-7
Molecular Formula:
C7H10N2O
Molecular Weight:
138.17 g/mol
Names and Synonyms:
2-Ethoxy-3-Methylpyrazine
2-Methyl-3-ethoxypyrazine
2-Ethoxy-3-methylpyrazine
Pyrazine, 2-ethoxy-3-methyl-
Identifiers:
SMILES:
CCOc1nccnc1C
InChI:
InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.17 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 | 0 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 | 35.010000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1837199999999999 | RDKit |
| molecular_mass | 138.17 g/mol | Legacy Database |
| cas-boiling-point | 88-90 °C @ Press: 48 Torr None | Legacy Database |
| cas-canonical-smile | N=1C=CN=C(C1OCC)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MMKWCKGYULOKET-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Ethoxy-3-methylpyrazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.93800000000001 | RDKit |
