- InChI
- InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
- InChI Key
- YPKBCLZFIYBSHK-UHFFFAOYSA-N
- Formula
- C9H9N
- SMILES
- Cc1ccc2[nH]ccc2c1
- Molecular Weight1
- 131.17
- CAS
- 614-96-0
- Other Names
-
- Indole, 5-methyl-
- 5-Methylindol
- 5-Methylindole
- IE : Ionization energy (eV).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 7.38 ± 0.00 | eV | NIST |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 108.730 | ml/mol | McGowan Calculated Property |
| Inp | [1381.00; 1402.00] |
|
|
| Inp | 1391.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1391.00 | NIST | |
| I | [2461.00; 2493.00] |
|
|
| I | 2461.00 | NIST | |
| I | 2493.00 | NIST | |
| I | 2468.00 | NIST | |
| I | 2461.00 | NIST | |
| I | 2468.00 | NIST | |
| Tboil | 540.20 | K | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole, 5-methyl-.
Sources
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