- InChI
- InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3
- InChI Key
- APKLQIQRPUDADG-UHFFFAOYSA-N
- Formula
- C12H20N2O
- SMILES
- CC(=O)N1C=C(C2CCCCN2)CCC1
- Molecular Weight1
- 208.30
- CAS
- 494-15-5
- 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.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 1.655 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Inp | [1856.00; 1873.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | Outlier 1856.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | Outlier 1873.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1865.00 | NIST | |
| Inp | 1860.00 | NIST |
Similar Compounds
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Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.