- InChI
- InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13+,15-/m0/s1
- InChI Key
- BWQSLRZZOVFVHJ-FLTXBFBQSA-N
- Formula
- C15H27NO4
- SMILES
-
CC(C)C(O)(C(=O)OCC1CCN2CCCC12)
C(C)O - Molecular Weight1
- 285.38
- CAS
- 14140-18-2
- 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 | -1.70 | Crippen Calculated Property | |
| logPoct/wat | 0.782 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Inp | [1965.00; 1970.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1970.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1970.00 | NIST |
Similar Compounds
Find more compounds similar to trachelanthamine.
Sources
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