- InChI
- InChI=1S/C14H18N2O2/c1-12(17)16(13-7-3-2-4-8-13)11-14(18)15-9-5-6-10-15/h2-4,7-8H,5-6,9-11H2,1H3
- InChI Key
- ANADNQXPDLZISJ-UHFFFAOYSA-N
- Formula
- C14H18N2O2
- SMILES
- CC(=O)N(CC(=O)N1CCCC1)c1ccccc1
- Molecular Weight1
- 246.30
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6508 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -267.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.662 | Crippen Calculated Property | |
| McVol | 196.600 | ml/mol | McGowan Calculated Property |
| Pc | 2245.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2160.00 | NIST | |
| Tboil | 616.70 | K | Relay (1.0) Calculated Property |
| Tc | 879.60 | K | Relay (1.0) Calculated Property |
| Tfus | 365.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-.](data:image/png;base64,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)
Find more compounds similar to Histapyrrodine M (N-desbenzyl-oxo), acetylated.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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