Information card for entry 2243807

Structure parameters

• Common name: 5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine
• Chemical name: <i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-amine
• Formula: C17 H26 N2 O
• Calculated formula: C17 H26 N2 O
• SMILES: O(c1ccc2[nH]cc(c2c1)CCN(CCC)CCC)C
• Title of publication: 5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (5-MeO-DPT): freebase and fumarate
• Authors of publication: Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 522 - 526
• a: 6.2223 ± 0.0003 Å
• b: 13.0931 ± 0.0006 Å
• c: 19.7791 ± 0.001 Å
• α: 90°
• β: 91.825 ± 0.002°
• γ: 90°
• Cell volume: 1610.57 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes