- InChI
- InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
- InChI Key
- MLQRZXNZHAOCHQ-UHFFFAOYSA-N
- Formula
- C23H30N2O
- SMILES
-
CCC(=O)N(c1ccccc1)C1CCN(CCc2cc
ccc2)CC1C - Molecular Weight1
- 350.50
- CAS
- 42045-86-3
- Other Names
-
- Mefentanyl
- Propanamide, N-(3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-
- N-(3-Methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide
- F 7209
- 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).
- 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 | 0.7122 | Relay (1.0) Calculated Property | |
| ΔfG° | 363.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -18.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.383 | Crippen Calculated Property | |
| McVol | 298.080 | ml/mol | McGowan Calculated Property |
| Pc | 1281.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 684.24 | K | Relay (1.0) Calculated Property |
| Tc | 950.95 | K | Relay (1.0) Calculated Property |
| Tfus | 382.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.059 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylfentanyl.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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