- InChI
- InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
- InChI Key
- UXFSPRAGHGMRSQ-UHFFFAOYSA-N
- Formula
- C9H14N2O
- SMILES
- COc1nccnc1CC(C)C
- Molecular Weight1
- 166.22
- CAS
- 24683-00-9
- Other Names
-
- 2-Isobutyl-3-methoxypyrazine
- 2-Methoxy-3-isobutylpyrazine
- 2-Methoxy-3-(2-methyl-propyl) pyrazine
- 3-Isobutyl-2-methoxypyrazine
- 3-Methoxy-2-isobutylpyrazine
- Pyrazine, 2-(2-methylpropyl)-3-methoxy
- Pyrazine, 2-isobutyl-3-methoxy
- Pyrazine, 2-methoxy, 3-isobutyl
- Pyrazine, 3-methoxy-2-(2-methylpropyl)
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.52 | Crippen Calculated Property | |
| logPoct/wat | 1.684 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Inp | [1156.00; 1211.00] |
|
|
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | Outlier 1208.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | Outlier 1211.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | Outlier 1156.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1161.00 | NIST | |
| I | [1494.00; 1558.00] |
|
|
| I | 1511.00 | NIST | |
| I | 1520.00 | NIST | |
| I | 1512.00 | NIST | |
| I | Outlier 1558.00 | NIST | |
| I | Outlier 1494.00 | NIST | |
| I | 1523.00 | NIST | |
| I | 1527.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1537.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1529.00 | NIST | |
| I | 1515.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1519.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1529.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1531.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1545.00 | NIST | |
| I | Outlier 1549.00 | NIST | |
| I | 1529.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1545.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1516.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1525.00 | NIST | |
| I | 1500.00 | NIST | |
| I | Outlier 1494.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1517.00 | NIST | |
| I | 1520.00 | NIST | |
| I | 1519.00 | NIST | |
| I | 1521.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1511.00 | NIST |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methoxy-3-(2-methylpropyl)-.
Sources
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