- InChI
- InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
- InChI Key
- DMCPFOBLJMLSNX-UHFFFAOYSA-N
- Formula
- C10H8N2
- SMILES
- N#CCc1c[nH]c2ccccc12
- Molecular Weight1
- 156.18
- CAS
- 771-51-7
- Other Names
-
- Indole-3-acetonitrile
- Indoleacetonitrile
- Indolylacetonitrile
- 3-Indolylacetonitrile
- Indolyl-3-acetonitrile
- 3-Indoleacetonitrile
- «beta»-Indoleacetonitrile
- Acetonitrile, 3-indolyl-
- USAF CB-29
- 3-(Cyanomethyl)indole
- 3-Indolacetonitrile
- 3-Cyanomethyl-1H-indole
- NSC 523272
- indol-3-ylacetonitrile
- 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.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 1.752 | Crippen Calculated Property | |
| McVol | 124.200 | ml/mol | McGowan Calculated Property |
| Inp | [1740.00; 1814.80] |
|
|
| Inp | 1814.80 | NIST | |
| Inp | 1740.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 431.70 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 1H-Indole-3-acetonitrile.
Sources
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