- InChI
- InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
- InChI Key
- NTOPKICPEQUPPH-UHFFFAOYSA-N
- Formula
- C8H12N2O
- SMILES
- COc1nccnc1C(C)C
- Molecular Weight1
- 152.19
- CAS
- 25773-40-4
- Other Names
-
- 2-Isopropyl-3-methoxypyrazine
- 2-Methoxy-3-isopropylpyrazine
- 3-Isopropyl-2-methoxypyrazine
- 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 | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Inp | [1076.00; 1104.00] |
|
|
| Inp | 1093.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | Outlier 1076.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | Outlier 1078.00 | NIST | |
| Inp | Outlier 1078.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | Outlier 1078.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | Outlier 1077.00 | NIST | |
| Inp | Outlier 1078.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1092.00 | NIST | |
| I | [1394.00; 1475.00] |
|
|
| I | 1418.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1435.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1420.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1443.00 | NIST | |
| I | 1444.00 | NIST | |
| I | Outlier 1465.00 | NIST | |
| I | Outlier 1475.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1446.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1446.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1435.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1420.00 | NIST | |
| I | 1412.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1432.00 | NIST | |
| I | 1443.00 | NIST | |
| I | 1445.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1432.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1400.00 | NIST |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methoxy-3-(1-methylethyl)-.
Sources
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that the value is more than 2 standard deviations away from the
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